1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C18H33N — CID 79559180

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(CC2CC3CCC2C3)C1
InChIInChI=1S/C18H33N/c1-12(2)17-7-4-13(3)10-18(17,19)11-16-9-14-5-6-15(16)8-14/h12-17H,4-11,19H2,1-3H3
InChIKeyZOTDYRBECPHYTN-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.60
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 79559180) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID79559180
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(CC2CC3CCC2C3)C1
InChIInChI=1S/C18H33N/c1-12(2)17-7-4-13(3)10-18(17,19)11-16-9-14-5-6-15(16)8-14/h12-17H,4-11,19H2,1-3H3
InChIKeyZOTDYRBECPHYTN-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 55185816
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
CID 79559407
1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114245728
5-methyl-1-(4-methylpentyl)-2-propan-2-ylcyclohexan-1-amine
CID 83157967
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol
CID 79559177
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine
CID 79561416
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethylcyclopentan-1-amine
CID 79558415
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile
CID 79550902
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
CID 19890420
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552555

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 79559180) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(CC2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is ZOTDYRBECPHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-12(2)17-7-4-13(3)10-18(17,19)11-16-9-14-5-6-15(16)8-14/h12-17H,4-11,19H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.60, 3 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]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79559180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).