4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol

C14H32N2O — CID 64900556

IUPAC4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)C(C)CC(C)C
InChIInChI=1S/C14H32N2O/c1-6-8-15-14(7-9-17)11-16(5)13(4)10-12(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyZVHJMUCPTRWBGQ-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.10
Rot. Bonds10

About 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol

4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol (PubChem CID 64900556) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol
PubChem CID64900556
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)C(C)CC(C)C
InChIInChI=1S/C14H32N2O/c1-6-8-15-14(7-9-17)11-16(5)13(4)10-12(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyZVHJMUCPTRWBGQ-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
CID 79001448
4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
CID 64899882
4-[butyl(ethyl)amino]-3-(propylamino)butan-1-ol
CID 64897316
4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol
CID 64900542
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol
CID 64897970
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823
4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol
CID 64900549
3-(propylamino)dodecan-1-ol
CID 114078400
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
CID 64798491
1-methyl-3-(3-methylbutyl)-1-[(2R)-4-methylpentan-2-yl]urea
CID 97014475

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol (CID 64900556) is 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol is CCCNC(CCO)CN(C)C(C)CC(C)C.
What is the InChIKey of 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol?
The InChIKey is ZVHJMUCPTRWBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-8-15-14(7-9-17)11-16(5)13(4)10-12(2)3/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol?
4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64900556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).