2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol

C13H30N2O — CID 64826166

IUPAC2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
SMILESCCCCCN(CCC(CO)NC)C(C)C
InChIInChI=1S/C13H30N2O/c1-5-6-7-9-15(12(2)3)10-8-13(11-16)14-4/h12-14,16H,5-11H2,1-4H3
InChIKeyKAIOESHQNOIVBV-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.86
Rot. Bonds10

About 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol

2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol (PubChem CID 64826166) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
PubChem CID64826166
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
SMILESCCCCCN(CCC(CO)NC)C(C)C
InChIInChI=1S/C13H30N2O/c1-5-6-7-9-15(12(2)3)10-8-13(11-16)14-4/h12-14,16H,5-11H2,1-4H3
InChIKeyKAIOESHQNOIVBV-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.86
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

4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826563
2-(cyclopropylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64825760
2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
CID 64825412
2-(methylamino)hexadecan-1-ol
CID 118696061
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
4-[propan-2-yl(propyl)amino]-2-(propylamino)butan-1-ol
CID 64795492
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
CID 62624462
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
CID 107505554
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butan-1-ol
CID 64797013
decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
CID 159290129
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol?
The IUPAC name of 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol (CID 64826166) is 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol is CCCCCN(CCC(CO)NC)C(C)C.
What is the InChIKey of 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol?
The InChIKey is KAIOESHQNOIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-6-7-9-15(12(2)3)10-8-13(11-16)14-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol?
2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 64826166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).