N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide

C19H39N5O — CID 111692610

IUPACN-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCCN(C(C)C)C(C)C)NCCC(=O)NC1CCCC1
InChIInChI=1S/C19H39N5O/c1-15(2)24(16(3)4)14-8-12-21-19(20-5)22-13-11-18(25)23-17-9-6-7-10-17/h15-17H,6-14H2,1-5H3,(H,23,25)(H2,20,21,22)
InChIKeyPTAHCPWCSUUITN-UHFFFAOYSA-N
MW353.56 g/mol
LogP2.11
Rot. Bonds10

About N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide

N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide (PubChem CID 111692610) has the molecular formula C19H39N5O and a molecular weight of 353.56 g/mol. Its IUPAC name is N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
PubChem CID111692610
Molecular FormulaC19H39N5O
Molecular Weight353.56 g/mol
Exact Mass353.32
IUPAC NameN-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCCN(C(C)C)C(C)C)NCCC(=O)NC1CCCC1
InChIInChI=1S/C19H39N5O/c1-15(2)24(16(3)4)14-8-12-21-19(20-5)22-13-11-18(25)23-17-9-6-7-10-17/h15-17H,6-14H2,1-5H3,(H,23,25)(H2,20,21,22)
InChIKeyPTAHCPWCSUUITN-UHFFFAOYSA-N
XLogP2.11
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111691442
N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111248329
3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111691859
N-cyclopentyl-3-[[N'-[3-[di(propan-2-yl)amino]propyl]-N-ethylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111692491
N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
CID 111124554
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111226709
3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110983081
methyl 3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111692185
N-cyclopropyl-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide
CID 111125811
1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111692188

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide (CID 111692610) is N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide is C/N=C(\NCCCN(C(C)C)C(C)C)NCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide?
The InChIKey is PTAHCPWCSUUITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O/c1-15(2)24(16(3)4)14-8-12-21-19(20-5)22-13-11-18(25)23-17-9-6-7-10-17/h15-17H,6-14H2,1-5H3,(H,23,25)(H2,20,21,22).
What are the key properties of N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide?
N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide has a molecular weight of 353.56 g/mol, XLogP of 2.11, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide is sourced from PubChem (CID 111692610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).