1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol

C17H31NO — CID 103276850

IUPAC1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCC1=CC(C)CC(CNCC2(O)CCCCCC2)C1
InChIInChI=1S/C17H31NO/c1-14-9-15(2)11-16(10-14)12-18-13-17(19)7-5-3-4-6-8-17/h9,14,16,18-19H,3-8,10-13H2,1-2H3
InChIKeyCFERKSNVAGMAOR-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.65
Rot. Bonds4

About 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol

1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 103276850) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol
PubChem CID103276850
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCC1=CC(C)CC(CNCC2(O)CCCCCC2)C1
InChIInChI=1S/C17H31NO/c1-14-9-15(2)11-16(10-14)12-18-13-17(19)7-5-3-4-6-8-17/h9,14,16,18-19H,3-8,10-13H2,1-2H3
InChIKeyCFERKSNVAGMAOR-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

2-Methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152628
(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152761
(5S)-2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-3-(2-methylpropylamino)hexan-2-ol
CID 71276986
(9Z,28Z)-18,20-diethyl-19-(methylaminomethyl)heptatriaconta-9,28-dien-19-ol
CID 88201591
1-methyl-4-[(2S)-5-(propylamino)pentan-2-yl]cyclohex-3-en-1-ol
CID 89899534
(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(2-methylpropylamino)methyl]heptan-2-ol
CID 130433403
5-[4-(Aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
CID 142066699
(6S)-2-methyl-4-(methylaminomethyl)-6-(4-methylcyclohexa-1,3-dien-1-yl)heptan-2-ol
CID 144424901
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
CID 55038351
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cycloheptan-1-ol
CID 60710717
1-[(Cyclohex-3-en-1-ylmethylamino)methyl]cycloheptan-1-ol
CID 61948604
1-[(Cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 65116423

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol (CID 103276850) is 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol is CC1=CC(C)CC(CNCC2(O)CCCCCC2)C1.
What is the InChIKey of 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is CFERKSNVAGMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14-9-15(2)11-16(10-14)12-18-13-17(19)7-5-3-4-6-8-17/h9,14,16,18-19H,3-8,10-13H2,1-2H3.
What are the key properties of 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol?
1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 103276850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).