1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol

C12H25NO — CID 62623569

IUPAC1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)CC1CC1
InChIInChI=1S/C12H25NO/c1-12(2,3)11(14)7-8-13(4)9-10-5-6-10/h10-11,14H,5-9H2,1-4H3
InChIKeyRHBSWQUKBGYHKG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds5

About 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol

1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol (PubChem CID 62623569) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
PubChem CID62623569
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)CC1CC1
InChIInChI=1S/C12H25NO/c1-12(2,3)11(14)7-8-13(4)9-10-5-6-10/h10-11,14H,5-9H2,1-4H3
InChIKeyRHBSWQUKBGYHKG-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623575
1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
CID 63700199
1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624455
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 55098237
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol
CID 115239935
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
CID 163258522
1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62861204
ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
CID 63054415
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62561624

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol (CID 62623569) is 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol is CN(CCC(O)C(C)(C)C)CC1CC1.
What is the InChIKey of 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol?
The InChIKey is RHBSWQUKBGYHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)11(14)7-8-13(4)9-10-5-6-10/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol?
1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62623569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).