1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol

C16H36N2O — CID 89292350

IUPAC1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
SMILESCCCC(C)(C)NCC(O)CNC(C)(CC)CCC
InChIInChI=1S/C16H36N2O/c1-7-10-15(4,5)17-12-14(19)13-18-16(6,9-3)11-8-2/h14,17-19H,7-13H2,1-6H3
InChIKeyIIUUFAISWRDPSR-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.07
Rot. Bonds11

About 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol

1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol (PubChem CID 89292350) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
PubChem CID89292350
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
SMILESCCCC(C)(C)NCC(O)CNC(C)(CC)CCC
InChIInChI=1S/C16H36N2O/c1-7-10-15(4,5)17-12-14(19)13-18-16(6,9-3)11-8-2/h14,17-19H,7-13H2,1-6H3
InChIKeyIIUUFAISWRDPSR-UHFFFAOYSA-N
XLogP3.07
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

1-(3-methylpentan-3-ylamino)butan-2-ol
CID 103766620
1-(2-methylbutan-2-ylamino)butan-2-ol
CID 20673371
2-(2-hydroxybutylamino)-2-methylbutan-1-ol
CID 64548924
(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
CID 106329053
2-(2-methylpentan-2-ylamino)ethanol
CID 23342156
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609743
3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol
CID 106175484
1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride
CID 173082363
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
2-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxypropyl]amino]-2-methylpropane-1,3-diol;2-[[2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl]amino]-2-methylpropan-1-ol
CID 158285222
2-amino-3-(2-methylpentan-2-ylamino)propanamide
CID 103264433

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol (CID 89292350) is 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol is CCCC(C)(C)NCC(O)CNC(C)(CC)CCC.
What is the InChIKey of 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol?
The InChIKey is IIUUFAISWRDPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-10-15(4,5)17-12-14(19)13-18-16(6,9-3)11-8-2/h14,17-19H,7-13H2,1-6H3.
What are the key properties of 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol?
1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol has a molecular weight of 272.48 g/mol, XLogP of 3.07, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 89292350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).