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

C12H23N — CID 43163798

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
SMILESCC(C)NCCC1CC2CCC1C2
InChIInChI=1S/C12H23N/c1-9(2)13-6-5-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3
InChIKeyNYDSPKATBDPYMN-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds4

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

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine (PubChem CID 43163798) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
PubChem CID43163798
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
SMILESCC(C)NCCC1CC2CCC1C2
InChIInChI=1S/C12H23N/c1-9(2)13-6-5-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3
InChIKeyNYDSPKATBDPYMN-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine
CID 115714190
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405492
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
CID 63506248
(2R)-1-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 98184971
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine (CID 43163798) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine is CC(C)NCCC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine?
The InChIKey is NYDSPKATBDPYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)13-6-5-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine is sourced from PubChem (CID 43163798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).