1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol

C14H29NO — CID 115769996

IUPAC1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol
SMILESCCCC(NCC(C)(O)C(C)CC)C1CC1
InChIInChI=1S/C14H29NO/c1-5-7-13(12-8-9-12)15-10-14(4,16)11(3)6-2/h11-13,15-16H,5-10H2,1-4H3
InChIKeyRKYFNONSEKTLEZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds8

About 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol

1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol (PubChem CID 115769996) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol
PubChem CID115769996
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol
SMILESCCCC(NCC(C)(O)C(C)CC)C1CC1
InChIInChI=1S/C14H29NO/c1-5-7-13(12-8-9-12)15-10-14(4,16)11(3)6-2/h11-13,15-16H,5-10H2,1-4H3
InChIKeyRKYFNONSEKTLEZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol
CID 115718648
1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115770147
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
CID 107889072
1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
CID 115751327
1-(1-cyclopropylpropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 115895807
N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 115770001
N-(2-hydroxy-2,3-dimethylpentyl)-2-(oxan-4-yl)propanamide
CID 109476485
2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 115901030

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol (CID 115769996) is 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol is CCCC(NCC(C)(O)C(C)CC)C1CC1.
What is the InChIKey of 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol?
The InChIKey is RKYFNONSEKTLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-7-13(12-8-9-12)15-10-14(4,16)11(3)6-2/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol?
1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 115769996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).