4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol

C14H30N2O — CID 107402528

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCN(CC1CCC1)C(C)CC(C)(CO)NC
InChIInChI=1S/C14H30N2O/c1-5-16(10-13-7-6-8-13)12(2)9-14(3,11-17)15-4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyVUHJSPPPQGVNBO-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds8

About 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 107402528) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID107402528
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCN(CC1CCC1)C(C)CC(C)(CO)NC
InChIInChI=1S/C14H30N2O/c1-5-16(10-13-7-6-8-13)12(2)9-14(3,11-17)15-4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyVUHJSPPPQGVNBO-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
4-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826351
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentan-1-ol
CID 64790464
5-[cyclopropylmethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826014
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64807799
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 107401005
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine
CID 107398113
4-[ethyl(propyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798523

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol (CID 107402528) is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol is CCN(CC1CCC1)C(C)CC(C)(CO)NC.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is VUHJSPPPQGVNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-16(10-13-7-6-8-13)12(2)9-14(3,11-17)15-4/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol?
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 107402528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).