N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine

C18H34N2 — CID 65072788

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCC(NC1CCCN(C(C)C)CC1)C1CC2CCC1C2
InChIInChI=1S/C18H34N2/c1-13(2)20-9-4-5-17(8-10-20)19-14(3)18-12-15-6-7-16(18)11-15/h13-19H,4-12H2,1-3H3
InChIKeyWSMRDULEPCOSSR-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65072788) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine
PubChem CID65072788
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCC(NC1CCCN(C(C)C)CC1)C1CC2CCC1C2
InChIInChI=1S/C18H34N2/c1-13(2)20-9-4-5-17(8-10-20)19-14(3)18-12-15-6-7-16(18)11-15/h13-19H,4-12H2,1-3H3
InChIKeyWSMRDULEPCOSSR-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-ethylcyclohexan-1-amine
CID 43081276
N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65072876
4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 113376079
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 43179794
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 43315021
2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid
CID 65077029
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79829243

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine (CID 65072788) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine is CC(NC1CCCN(C(C)C)CC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is WSMRDULEPCOSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-13(2)20-9-4-5-17(8-10-20)19-14(3)18-12-15-6-7-16(18)11-15/h13-19H,4-12H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 278.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65072788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).