2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol

C15H34N2O — CID 64826760

IUPAC2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
SMILESCCCCCN(CC(C)(CO)NCCC)C(C)C
InChIInChI=1S/C15H34N2O/c1-6-8-9-11-17(14(3)4)12-15(5,13-18)16-10-7-2/h14,16,18H,6-13H2,1-5H3
InChIKeyDTIIGIAALTXWTB-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.64
Rot. Bonds11

About 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol

2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol (PubChem CID 64826760) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
PubChem CID64826760
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
SMILESCCCCCN(CC(C)(CO)NCCC)C(C)C
InChIInChI=1S/C15H34N2O/c1-6-8-9-11-17(14(3)4)12-15(5,13-18)16-10-7-2/h14,16,18H,6-13H2,1-5H3
InChIKeyDTIIGIAALTXWTB-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.64
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

3-[ethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64795479
2-methyl-5-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64827398
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962
3-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64827631
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol
CID 103192144
2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827354
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64827091
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 65267034
2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79811282
6-(dipropylamino)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol (CID 64826760) is 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol is CCCCCN(CC(C)(CO)NCCC)C(C)C.
What is the InChIKey of 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol?
The InChIKey is DTIIGIAALTXWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-6-8-9-11-17(14(3)4)12-15(5,13-18)16-10-7-2/h14,16,18H,6-13H2,1-5H3.
What are the key properties of 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol?
2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64826760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).