N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C16H27N3 — CID 60662749

IUPACN-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCCn1ccnc1)C2
InChIInChI=1S/C16H27N3/c1-15(2)13-5-6-16(15,3)14(11-13)18-7-4-9-19-10-8-17-12-19/h8,10,12-14,18H,4-7,9,11H2,1-3H3
InChIKeyOXYVJONQCHMAAX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.08
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 60662749) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID60662749
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCCn1ccnc1)C2
InChIInChI=1S/C16H27N3/c1-15(2)13-5-6-16(15,3)14(11-13)18-7-4-9-19-10-8-17-12-19/h8,10,12-14,18H,4-7,9,11H2,1-3H3
InChIKeyOXYVJONQCHMAAX-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.08
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

1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole
CID 58526065
N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662731
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103871913
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide
CID 81257647
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 60662749) is N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCCCn1ccnc1)C2.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is OXYVJONQCHMAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-15(2)13-5-6-16(15,3)14(11-13)18-7-4-9-19-10-8-17-12-19/h8,10,12-14,18H,4-7,9,11H2,1-3H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 60662749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).