N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide

C17H35N5 — CID 173471405

IUPACN'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)NC(C)=N/C(N)=N/CCCN(CCCC)CCCC
InChIInChI=1S/C17H35N5/c1-6-8-12-22(13-9-7-2)14-10-11-19-17(18)21-16(5)20-15(3)4/h3,6-14H2,1-2,4-5H3,(H3,18,19,20,21)
InChIKeyQSMVEECVEPTQKF-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.13
Rot. Bonds11

About N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide

N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide (PubChem CID 173471405) has the molecular formula C17H35N5 and a molecular weight of 309.50 g/mol. Its IUPAC name is N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide
PubChem CID173471405
Molecular FormulaC17H35N5
Molecular Weight309.50 g/mol
Exact Mass309.29
IUPAC NameN'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)NC(C)=N/C(N)=N/CCCN(CCCC)CCCC
InChIInChI=1S/C17H35N5/c1-6-8-12-22(13-9-7-2)14-10-11-19-17(18)21-16(5)20-15(3)4/h3,6-14H2,1-2,4-5H3,(H3,18,19,20,21)
InChIKeyQSMVEECVEPTQKF-UHFFFAOYSA-N
XLogP3.13
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide (CID 173471405) is N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide is C=C(C)NC(C)=N/C(N)=N/CCCN(CCCC)CCCC.
What is the InChIKey of N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide?
The InChIKey is QSMVEECVEPTQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5/c1-6-8-12-22(13-9-7-2)14-10-11-19-17(18)21-16(5)20-15(3)4/h3,6-14H2,1-2,4-5H3,(H3,18,19,20,21).
What are the key properties of N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide?
N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide has a molecular weight of 309.50 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 173471405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).