N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine

C12H21N — CID 61308965

IUPACN-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1C2)C1CC1
InChIInChI=1S/C12H21N/c1-8(10-4-5-10)13-12-7-9-2-3-11(12)6-9/h8-13H,2-7H2,1H3
InChIKeyFKTIYJFPLARNNP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.56
Rot. Bonds3

About N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine

N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 61308965) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID61308965
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1C2)C1CC1
InChIInChI=1S/C12H21N/c1-8(10-4-5-10)13-12-7-9-2-3-11(12)6-9/h8-13H,2-7H2,1H3
InChIKeyFKTIYJFPLARNNP-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
N-(1-cyclopropylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130496523
2-(2-bicyclo[2.2.1]heptanylamino)-N-methylpropanamide
CID 61464603
N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115886386
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
(2R)-2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 98119446
(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 124526679
N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130500255
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333
3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide
CID 115891278
N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 103271671

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine (CID 61308965) is N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1C2)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is FKTIYJFPLARNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(10-4-5-10)13-12-7-9-2-3-11(12)6-9/h8-13H,2-7H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine?
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61308965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).