5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol

C16H28N2O — CID 70974390

IUPAC5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol
SMILESCC1=CCC(NC(O)CCCCN)C2=C1CCCC2
InChIInChI=1S/C16H28N2O/c1-12-9-10-15(14-7-3-2-6-13(12)14)18-16(19)8-4-5-11-17/h9,15-16,18-19H,2-8,10-11,17H2,1H3
InChIKeyGUEQTJBZQVJDRM-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.61
Rot. Bonds6

About 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol

5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol (PubChem CID 70974390) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol
PubChem CID70974390
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol
SMILESCC1=CCC(NC(O)CCCCN)C2=C1CCCC2
InChIInChI=1S/C16H28N2O/c1-12-9-10-15(14-7-3-2-6-13(12)14)18-16(19)8-4-5-11-17/h9,15-16,18-19H,2-8,10-11,17H2,1H3
InChIKeyGUEQTJBZQVJDRM-UHFFFAOYSA-N
XLogP2.61
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol?
The IUPAC name of 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol (CID 70974390) is 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol?
The canonical SMILES for 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol is CC1=CCC(NC(O)CCCCN)C2=C1CCCC2.
What is the InChIKey of 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol?
The InChIKey is GUEQTJBZQVJDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-9-10-15(14-7-3-2-6-13(12)14)18-16(19)8-4-5-11-17/h9,15-16,18-19H,2-8,10-11,17H2,1H3.
What are the key properties of 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol?
5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol is sourced from PubChem (CID 70974390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).