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

C17H32N2 — CID 43178308

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(NC1CCN(C(C)C)CC1)C1CC2CCC1C2
InChIInChI=1S/C17H32N2/c1-12(2)19-8-6-16(7-9-19)18-13(3)17-11-14-4-5-15(17)10-14/h12-18H,4-11H2,1-3H3
InChIKeyUADHWBMSGPDJPG-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.27
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 43178308) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID43178308
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(NC1CCN(C(C)C)CC1)C1CC2CCC1C2
InChIInChI=1S/C17H32N2/c1-12(2)19-8-6-16(7-9-19)18-13(3)17-11-14-4-5-15(17)10-14/h12-18H,4-11H2,1-3H3
InChIKeyUADHWBMSGPDJPG-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.27
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-ylazepan-4-amine
CID 65072788
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]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-ethylcyclohexan-1-amine
CID 43081276
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 43315021
tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate
CID 63422419
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 43179794
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
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-ylpiperidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine (CID 43178308) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine is CC(NC1CCN(C(C)C)CC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is UADHWBMSGPDJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-12(2)19-8-6-16(7-9-19)18-13(3)17-11-14-4-5-15(17)10-14/h12-18H,4-11H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 264.46 g/mol, XLogP of 3.27, 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-ylpiperidin-4-amine is sourced from PubChem (CID 43178308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).