2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol

C18H30N2O — CID 64789319

IUPAC2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol
SMILESCc1ccc(N(C)CCCCC(C)(CO)NC2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-15-6-10-17(11-7-15)20(3)13-5-4-12-18(2,14-21)19-16-8-9-16/h6-7,10-11,16,19,21H,4-5,8-9,12-14H2,1-3H3
InChIKeyJAACJCIIAZZQEF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.10
Rot. Bonds9

About 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol

2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol (PubChem CID 64789319) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol
PubChem CID64789319
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol
SMILESCc1ccc(N(C)CCCCC(C)(CO)NC2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-15-6-10-17(11-7-15)20(3)13-5-4-12-18(2,14-21)19-16-8-9-16/h6-7,10-11,16,19,21H,4-5,8-9,12-14H2,1-3H3
InChIKeyJAACJCIIAZZQEF-UHFFFAOYSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol
CID 64795852
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
CID 64791309
5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790514
2-(cyclopropylamino)-6-(2-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64792146
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
CID 64826615
2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol
CID 64789346
2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
CID 64789739
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol (CID 64789319) is 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol is Cc1ccc(N(C)CCCCC(C)(CO)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol?
The InChIKey is JAACJCIIAZZQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-6-10-17(11-7-15)20(3)13-5-4-12-18(2,14-21)19-16-8-9-16/h6-7,10-11,16,19,21H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol?
2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol is sourced from PubChem (CID 64789319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).