2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol

C16H34N2O — CID 64826615

IUPAC2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
SMILESCC(C)CCN(C)CCCCC(C)(CO)NC1CC1
InChIInChI=1S/C16H34N2O/c1-14(2)9-12-18(4)11-6-5-10-16(3,13-19)17-15-7-8-15/h14-15,17,19H,5-13H2,1-4H3
InChIKeyRWKSWSIHPHPGEF-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds11

About 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol

2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol (PubChem CID 64826615) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
PubChem CID64826615
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
SMILESCC(C)CCN(C)CCCCC(C)(CO)NC1CC1
InChIInChI=1S/C16H34N2O/c1-14(2)9-12-18(4)11-6-5-10-16(3,13-19)17-15-7-8-15/h14-15,17,19H,5-13H2,1-4H3
InChIKeyRWKSWSIHPHPGEF-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 64797672
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
CID 64790597
2-(cyclopropylamino)-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826457
2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 64825233
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788794
2-(cyclopropylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
CID 64826804
2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827354
2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol
CID 64795852
2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826225

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol (CID 64826615) is 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol is CC(C)CCN(C)CCCCC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol?
The InChIKey is RWKSWSIHPHPGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)9-12-18(4)11-6-5-10-16(3,13-19)17-15-7-8-15/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol?
2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol is sourced from PubChem (CID 64826615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).