4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol

C15H30N2O — CID 107402539

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
SMILESCCN(CCC(C)(CO)NC1CC1)CC1CCC1
InChIInChI=1S/C15H30N2O/c1-3-17(11-13-5-4-6-13)10-9-15(2,12-18)16-14-7-8-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyMFLWYDIMFCLINH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds9

About 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol

4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol (PubChem CID 107402539) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
PubChem CID107402539
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
SMILESCCN(CCC(C)(CO)NC1CC1)CC1CCC1
InChIInChI=1S/C15H30N2O/c1-3-17(11-13-5-4-6-13)10-9-15(2,12-18)16-14-7-8-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyMFLWYDIMFCLINH-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
4-[cyclohexyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64798397
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64789438
6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol
CID 64789640
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
CID 107400471

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol (CID 107402539) is 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol is CCN(CCC(C)(CO)NC1CC1)CC1CCC1.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol?
The InChIKey is MFLWYDIMFCLINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-17(11-13-5-4-6-13)10-9-15(2,12-18)16-14-7-8-14/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol?
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 9 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-(cyclopropylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 107402539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).