N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine

C16H29N3 — CID 65083611

IUPACN-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NCCCCn2ccnc2)CC1
InChIInChI=1S/C16H29N3/c1-16(2)8-5-6-15(7-9-16)18-10-3-4-12-19-13-11-17-14-19/h11,13-15,18H,3-10,12H2,1-2H3
InChIKeyMGCNUOQKLJNJTH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.61
Rot. Bonds6

About N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine

N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65083611) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65083611
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NCCCCn2ccnc2)CC1
InChIInChI=1S/C16H29N3/c1-16(2)8-5-6-15(7-9-16)18-10-3-4-12-19-13-11-17-14-19/h11,13-15,18H,3-10,12H2,1-2H3
InChIKeyMGCNUOQKLJNJTH-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758617
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine
CID 115656536
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
N-(3-imidazol-1-ylpropyl)-1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228938
N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228940
N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662749
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
CID 64552335
N-[4-(1,2,4-triazol-4-yl)butyl]cyclohexanamine
CID 115656537

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine (CID 65083611) is N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(NCCCCn2ccnc2)CC1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is MGCNUOQKLJNJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-16(2)8-5-6-15(7-9-16)18-10-3-4-12-19-13-11-17-14-19/h11,13-15,18H,3-10,12H2,1-2H3.
What are the key properties of N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine?
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65083611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).