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

C14H32N2O — CID 64900116

IUPAC3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
SMILESCCCCCN(CC(CCO)NCC)C(C)C
InChIInChI=1S/C14H32N2O/c1-5-7-8-10-16(13(3)4)12-14(9-11-17)15-6-2/h13-15,17H,5-12H2,1-4H3
InChIKeyKGRAFCWSBHZUEI-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.25
Rot. Bonds11

About 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol

3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol (PubChem CID 64900116) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
PubChem CID64900116
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
SMILESCCCCCN(CC(CCO)NCC)C(C)C
InChIInChI=1S/C14H32N2O/c1-5-7-8-10-16(13(3)4)12-14(9-11-17)15-6-2/h13-15,17H,5-12H2,1-4H3
InChIKeyKGRAFCWSBHZUEI-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.25
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-(dipropylamino)-3-(ethylamino)butan-1-ol
CID 64899669
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64826166
4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826563
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
CID 107505554
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
CID 159290129
3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butan-1-ol
CID 64797013
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 107505355

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol (CID 64900116) is 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol is CCCCCN(CC(CCO)NCC)C(C)C.
What is the InChIKey of 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol?
The InChIKey is KGRAFCWSBHZUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-7-8-10-16(13(3)4)12-14(9-11-17)15-6-2/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol?
3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 64900116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).