1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine

C12H23N — CID 79557968

IUPAC1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
SMILESCCCC(N)CC1CC2CCC1C2
InChIInChI=1S/C12H23N/c1-2-3-12(13)8-11-7-9-4-5-10(11)6-9/h9-12H,2-8,13H2,1H3
InChIKeySYPXJGFVGVGYID-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine (PubChem CID 79557968) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
PubChem CID79557968
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
SMILESCCCC(N)CC1CC2CCC1C2
InChIInChI=1S/C12H23N/c1-2-3-12(13)8-11-7-9-4-5-10(11)6-9/h9-12H,2-8,13H2,1H3
InChIKeySYPXJGFVGVGYID-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
1-(2-bicyclo[2.2.1]heptanyl)-5-ethoxypentan-2-amine
CID 105167957
1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
CID 104987755
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-amine
CID 105037583
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one
CID 116607768
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine
CID 79562079
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine
CID 105167993

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine (CID 79557968) is 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine is CCCC(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine?
The InChIKey is SYPXJGFVGVGYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-12(13)8-11-7-9-4-5-10(11)6-9/h9-12H,2-8,13H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine is sourced from PubChem (CID 79557968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).