[2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol

C16H34N2O — CID 106360327

IUPAC[2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol
SMILESCCCCCCC(C)(CN)NC1CCCCC1CO
InChIInChI=1S/C16H34N2O/c1-3-4-5-8-11-16(2,13-17)18-15-10-7-6-9-14(15)12-19/h14-15,18-19H,3-13,17H2,1-2H3
InChIKeyTYLQMCQHSBNPNX-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.81
Rot. Bonds9

About [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol

[2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol (PubChem CID 106360327) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol
PubChem CID106360327
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name[2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol
SMILESCCCCCCC(C)(CN)NC1CCCCC1CO
InChIInChI=1S/C16H34N2O/c1-3-4-5-8-11-16(2,13-17)18-15-10-7-6-9-14(15)12-19/h14-15,18-19H,3-13,17H2,1-2H3
InChIKeyTYLQMCQHSBNPNX-UHFFFAOYSA-N
XLogP2.81
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol (CID 106360327) is [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol is CCCCCCC(C)(CN)NC1CCCCC1CO.
What is the InChIKey of [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol?
The InChIKey is TYLQMCQHSBNPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-3-4-5-8-11-16(2,13-17)18-15-10-7-6-9-14(15)12-19/h14-15,18-19H,3-13,17H2,1-2H3.
What are the key properties of [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol?
[2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol has a molecular weight of 270.46 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-amino-2-methyloctan-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106360327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).