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

C14H28N2O — CID 64796135

IUPAC2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
SMILESCN(CCCCC(C)(CO)NC1CC1)C1CC1
InChIInChI=1S/C14H28N2O/c1-14(11-17,15-12-5-6-12)9-3-4-10-16(2)13-7-8-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyMLNZQPNDIOCALD-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.75
Rot. Bonds9

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

2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol (PubChem CID 64796135) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
PubChem CID64796135
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
SMILESCN(CCCCC(C)(CO)NC1CC1)C1CC1
InChIInChI=1S/C14H28N2O/c1-14(11-17,15-12-5-6-12)9-3-4-10-16(2)13-7-8-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyMLNZQPNDIOCALD-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.75
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-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
2-(cyclopropylamino)-2-methyl-5-[methyl-(3-methylcyclohexyl)amino]pentan-1-ol
CID 64827706
2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
CID 64826615
2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol
CID 64795852
2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol
CID 64827792
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol
CID 64789319
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663
2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 64825233
2-(cyclopropylamino)-6-(2-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64792146
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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol (CID 64796135) is 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol is CN(CCCCC(C)(CO)NC1CC1)C1CC1.
What is the InChIKey of 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol?
The InChIKey is MLNZQPNDIOCALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(11-17,15-12-5-6-12)9-3-4-10-16(2)13-7-8-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol?
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 64796135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).