2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol

C17H31NO — CID 169490535

IUPAC2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol
SMILESCC(C)CC(CN)(CO)CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C17H31NO/c1-12(2)8-17(10-18,11-19)9-13-5-6-14-7-15(13)16(14,3)4/h5,12,14-15,19H,6-11,18H2,1-4H3/t14-,15-,17?/m0/s1
InChIKeyLHBSJDWUCRISNN-GIIGEWEBSA-N
MW265.44 g/mol
LogP3.35
Rot. Bonds6

About 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol

2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol (PubChem CID 169490535) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol
PubChem CID169490535
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol
SMILESCC(C)CC(CN)(CO)CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C17H31NO/c1-12(2)8-17(10-18,11-19)9-13-5-6-14-7-15(13)16(14,3)4/h5,12,14-15,19H,6-11,18H2,1-4H3/t14-,15-,17?/m0/s1
InChIKeyLHBSJDWUCRISNN-GIIGEWEBSA-N
XLogP3.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol with MolForge

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Related Compounds

(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol
CID 67554986
(2R,3R)-2-amino-3-(4-tert-butylcyclohexen-1-yl)butan-1-ol
CID 71002952
2-Amino-3-(4-tert-butylcyclohexen-1-yl)butan-1-ol
CID 77978667
2-Amino-3-(4-tert-butylcyclohexen-1-yl)propan-1-ol
CID 144469298
3-Amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 13460670
2-(Aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol
CID 13460671
[1-(Aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol
CID 79137537
[1-(Aminomethyl)-4,4-dimethylcyclohexyl]-cyclohex-3-en-1-ylmethanol
CID 79137924
[1-(Aminomethyl)-4-ethylcyclohexyl]-cyclohex-3-en-1-ylmethanol
CID 79137925
[1-(Aminomethyl)-3-ethylcyclohexyl]-cyclohex-3-en-1-ylmethanol
CID 79138016
[1-(Aminomethyl)-4-propan-2-ylcyclohexyl]-cyclohex-3-en-1-ylmethanol
CID 79138200
[1-(Aminomethyl)-4-propylcyclohexyl]-cyclohex-3-en-1-ylmethanol
CID 79138395

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol (CID 169490535) is 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol is CC(C)CC(CN)(CO)CC1=CC[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol?
The InChIKey is LHBSJDWUCRISNN-GIIGEWEBSA-N. The full InChI is InChI=1S/C17H31NO/c1-12(2)8-17(10-18,11-19)9-13-5-6-14-7-15(13)16(14,3)4/h5,12,14-15,19H,6-11,18H2,1-4H3/t14-,15-,17?/m0/s1.
What are the key properties of 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol?
2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-methylpentan-1-ol is sourced from PubChem (CID 169490535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).