6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol

C16H32N2O — CID 64786465

IUPAC6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
SMILESCN(CCCCC(C)(CO)NC1CC1)CC1CCC1
InChIInChI=1S/C16H32N2O/c1-16(13-19,17-15-8-9-15)10-3-4-11-18(2)12-14-6-5-7-14/h14-15,17,19H,3-13H2,1-2H3
InChIKeyOHIDOPMYWDJYBD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds10

About 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol

6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol (PubChem CID 64786465) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
PubChem CID64786465
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
SMILESCN(CCCCC(C)(CO)NC1CC1)CC1CCC1
InChIInChI=1S/C16H32N2O/c1-16(13-19,17-15-8-9-15)10-3-4-11-18(2)12-14-6-5-7-14/h14-15,17,19H,3-13H2,1-2H3
InChIKeyOHIDOPMYWDJYBD-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
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-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
CID 64790597
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788794
2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
CID 64826615
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
3-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64787635
2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 64825233
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 107402539
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol (CID 64786465) is 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol is CN(CCCCC(C)(CO)NC1CC1)CC1CCC1.
What is the InChIKey of 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol?
The InChIKey is OHIDOPMYWDJYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(13-19,17-15-8-9-15)10-3-4-11-18(2)12-14-6-5-7-14/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol?
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64786465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).