2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol

C17H34N2O — CID 64825233

IUPAC2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol
SMILESCC(C)N(CCCCC(C)(CO)NC1CC1)CC1CC1
InChIInChI=1S/C17H34N2O/c1-14(2)19(12-15-6-7-15)11-5-4-10-17(3,13-20)18-16-8-9-16/h14-16,18,20H,4-13H2,1-3H3
InChIKeyMYEBOTDEGKBGES-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds11

About 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol

2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol (PubChem CID 64825233) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol
PubChem CID64825233
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol
SMILESCC(C)N(CCCCC(C)(CO)NC1CC1)CC1CC1
InChIInChI=1S/C17H34N2O/c1-14(2)19(12-15-6-7-15)11-5-4-10-17(3,13-20)18-16-8-9-16/h14-16,18,20H,4-13H2,1-3H3
InChIKeyMYEBOTDEGKBGES-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
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

6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825430
5-[cyclopropylmethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826014
2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827354
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
CID 64790597
2-(cyclopropylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
CID 64826804
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
CID 64826615
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 65254258
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol (CID 64825233) is 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol is CC(C)N(CCCCC(C)(CO)NC1CC1)CC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol?
The InChIKey is MYEBOTDEGKBGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)19(12-15-6-7-15)11-5-4-10-17(3,13-20)18-16-8-9-16/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol?
2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 64825233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).