5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol

C19H34N2O — CID 70974518

IUPAC5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol
SMILESCC1CC(C)CC(C2=CCC(NC(O)CCCCN)C=C2)C1
InChIInChI=1S/C19H34N2O/c1-14-11-15(2)13-17(12-14)16-6-8-18(9-7-16)21-19(22)5-3-4-10-20/h6-8,14-15,17-19,21-22H,3-5,9-13,20H2,1-2H3
InChIKeyXUGDYFWXCRWVCN-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.35
Rot. Bonds7

About 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol

5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol (PubChem CID 70974518) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol
PubChem CID70974518
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol
SMILESCC1CC(C)CC(C2=CCC(NC(O)CCCCN)C=C2)C1
InChIInChI=1S/C19H34N2O/c1-14-11-15(2)13-17(12-14)16-6-8-18(9-7-16)21-19(22)5-3-4-10-20/h6-8,14-15,17-19,21-22H,3-5,9-13,20H2,1-2H3
InChIKeyXUGDYFWXCRWVCN-UHFFFAOYSA-N
XLogP3.35
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol?
The IUPAC name of 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol (CID 70974518) is 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol?
The canonical SMILES for 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol is CC1CC(C)CC(C2=CCC(NC(O)CCCCN)C=C2)C1.
What is the InChIKey of 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol?
The InChIKey is XUGDYFWXCRWVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-14-11-15(2)13-17(12-14)16-6-8-18(9-7-16)21-19(22)5-3-4-10-20/h6-8,14-15,17-19,21-22H,3-5,9-13,20H2,1-2H3.
What are the key properties of 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol?
5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol has a molecular weight of 306.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol is sourced from PubChem (CID 70974518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).