6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C14H30N2O — CID 64798501

IUPAC6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN(C)C1CC1
InChIInChI=1S/C14H30N2O/c1-12(2)15-14(3,11-17)9-5-6-10-16(4)13-7-8-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyPETJITXNATWELS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds9

About 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64798501) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64798501
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN(C)C1CC1
InChIInChI=1S/C14H30N2O/c1-12(2)15-14(3,11-17)9-5-6-10-16(4)13-7-8-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyPETJITXNATWELS-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
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-methyl-5-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 64798346
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
CID 64787613
5-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795940
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
5-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64797279
2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol
CID 64827792
5-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795994
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64791917
6-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64826309
2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol
CID 64797449
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64798501) is 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCN(C)C1CC1.
What is the InChIKey of 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is PETJITXNATWELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)15-14(3,11-17)9-5-6-10-16(4)13-7-8-13/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64798501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).