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

C16H36N2O — CID 64797449

IUPAC2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol
SMILESCCCN(CCCCC(C)(CO)NC(C)C)C(C)C
InChIInChI=1S/C16H36N2O/c1-7-11-18(15(4)5)12-9-8-10-16(6,13-19)17-14(2)3/h14-15,17,19H,7-13H2,1-6H3
InChIKeyZGMZKLLFNSVXDU-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.03
Rot. Bonds11

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

2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol (PubChem CID 64797449) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol
PubChem CID64797449
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol
SMILESCCCN(CCCCC(C)(CO)NC(C)C)C(C)C
InChIInChI=1S/C16H36N2O/c1-7-11-18(15(4)5)12-9-8-10-16(6,13-19)17-14(2)3/h14-15,17,19H,7-13H2,1-6H3
InChIKeyZGMZKLLFNSVXDU-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.03
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-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
2-(ethylamino)-6-[2-methoxyethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 82965249
4-[ethyl(propyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798523
6-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64826309
2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827354
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798809
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 64827639
6-[ethyl(1-methoxypropan-2-yl)amino]-2-methyl-2-(methylamino)hexan-1-ol
CID 64826103
5-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795940
6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol (CID 64797449) is 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol is CCCN(CCCCC(C)(CO)NC(C)C)C(C)C.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol?
The InChIKey is ZGMZKLLFNSVXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-11-18(15(4)5)12-9-8-10-16(6,13-19)17-14(2)3/h14-15,17,19H,7-13H2,1-6H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol?
2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol has a molecular weight of 272.48 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol is sourced from PubChem (CID 64797449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).