1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine

C13H25N — CID 79559608

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
SMILESCCC(N)C(C)CC1CC2CCC1C2
InChIInChI=1S/C13H25N/c1-3-13(14)9(2)6-12-8-10-4-5-11(12)7-10/h9-13H,3-8,14H2,1-2H3
InChIKeyPMZVSVZZBWBOMH-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.19
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine

1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine (PubChem CID 79559608) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
PubChem CID79559608
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
SMILESCCC(N)C(C)CC1CC2CCC1C2
InChIInChI=1S/C13H25N/c1-3-13(14)9(2)6-12-8-10-4-5-11(12)7-10/h9-13H,3-8,14H2,1-2H3
InChIKeyPMZVSVZZBWBOMH-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine
CID 79562079
3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
CID 103516898
[1-(2-bicyclo[2.2.1]heptanyl)-4-methylhexan-2-yl]hydrazine
CID 105298462
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
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
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine (CID 79559608) is 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine is CCC(N)C(C)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine?
The InChIKey is PMZVSVZZBWBOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-13(14)9(2)6-12-8-10-4-5-11(12)7-10/h9-13H,3-8,14H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine?
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.19, 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)-2-methylpentan-3-amine is sourced from PubChem (CID 79559608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).