N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine

C21H37N5 — CID 140833514

IUPACN,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
SMILESCCCCCCCN(CCCc1nccn1C)CCCc1nccn1C
InChIInChI=1S/C21H37N5/c1-4-5-6-7-8-15-26(16-9-11-20-22-13-18-24(20)2)17-10-12-21-23-14-19-25(21)3/h13-14,18-19H,4-12,15-17H2,1-3H3
InChIKeyIUSWJBRAZFPJSW-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.99
Rot. Bonds14

About N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine

N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine (PubChem CID 140833514) has the molecular formula C21H37N5 and a molecular weight of 359.56 g/mol. Its IUPAC name is N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine.

Molecular Properties

Compound NameN,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
PubChem CID140833514
Molecular FormulaC21H37N5
Molecular Weight359.56 g/mol
Exact Mass359.30
IUPAC NameN,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
SMILESCCCCCCCN(CCCc1nccn1C)CCCc1nccn1C
InChIInChI=1S/C21H37N5/c1-4-5-6-7-8-15-26(16-9-11-20-22-13-18-24(20)2)17-10-12-21-23-14-19-25(21)3/h13-14,18-19H,4-12,15-17H2,1-3H3
InChIKeyIUSWJBRAZFPJSW-UHFFFAOYSA-N
XLogP3.99
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
CID 140833527
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-butyl-1-methylimidazole;fluoroform
CID 162050255
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
azane;1-methyl-2-propylimidazole
CID 174525892
2-dodecyl-1-methylimidazole;prop-2-enoic acid
CID 175068688
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
methanamine;1-methyl-2-propylimidazole
CID 164902083
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine?
The IUPAC name of N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine (CID 140833514) is N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine.
What is the SMILES notation for N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine?
The canonical SMILES for N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine is CCCCCCCN(CCCc1nccn1C)CCCc1nccn1C.
What is the InChIKey of N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine?
The InChIKey is IUSWJBRAZFPJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5/c1-4-5-6-7-8-15-26(16-9-11-20-22-13-18-24(20)2)17-10-12-21-23-14-19-25(21)3/h13-14,18-19H,4-12,15-17H2,1-3H3.
What are the key properties of N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine?
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine has a molecular weight of 359.56 g/mol, XLogP of 3.99, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine is sourced from PubChem (CID 140833514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).