N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide

C19H42N6 — CID 166723390

IUPACN'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide
SMILESCCN(CC)CCC/N=C(\N)N/C(=N/CCCN(CC)CC)C(C)C
InChIInChI=1S/C19H42N6/c1-7-24(8-2)15-11-13-21-18(17(5)6)23-19(20)22-14-12-16-25(9-3)10-4/h17H,7-16H2,1-6H3,(H3,20,21,22,23)
InChIKeyIWCNNJSNZFJSGY-UHFFFAOYSA-N
MW354.59 g/mol
LogP2.41
Rot. Bonds13

About N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide

N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide (PubChem CID 166723390) has the molecular formula C19H42N6 and a molecular weight of 354.59 g/mol. Its IUPAC name is N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide
PubChem CID166723390
Molecular FormulaC19H42N6
Molecular Weight354.59 g/mol
Exact Mass354.35
IUPAC NameN'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide
SMILESCCN(CC)CCC/N=C(\N)N/C(=N/CCCN(CC)CC)C(C)C
InChIInChI=1S/C19H42N6/c1-7-24(8-2)15-11-13-21-18(17(5)6)23-19(20)22-14-12-16-25(9-3)10-4/h17H,7-16H2,1-6H3,(H3,20,21,22,23)
InChIKeyIWCNNJSNZFJSGY-UHFFFAOYSA-N
XLogP2.41
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium
CID 6332029
2-[4-(diethylamino)butyl]-1-propan-2-ylguanidine;hydroiodide
CID 111059974
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701
2-butyl-1-[2-(diethylamino)ethyl]guanidine
CID 111022666
2-[4-(diethylamino)butyl]-1-prop-2-enylguanidine
CID 136700136
2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111025375
1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide
CID 110935038
2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
CID 111077417
N'-[3-(diethylamino)propyl]cyclopropanecarboximidamide
CID 63178602
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337
2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111600581

Frequently Asked Questions

What is the IUPAC name of N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide?
The IUPAC name of N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide (CID 166723390) is N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide is CCN(CC)CCC/N=C(\N)N/C(=N/CCCN(CC)CC)C(C)C.
What is the InChIKey of N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide?
The InChIKey is IWCNNJSNZFJSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N6/c1-7-24(8-2)15-11-13-21-18(17(5)6)23-19(20)22-14-12-16-25(9-3)10-4/h17H,7-16H2,1-6H3,(H3,20,21,22,23).
What are the key properties of N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide?
N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide has a molecular weight of 354.59 g/mol, XLogP of 2.41, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide is sourced from PubChem (CID 166723390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).