2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol

C12H25NO — CID 115895052

IUPAC2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(NC(CO)CC(C)(C)C)C1CC1
InChIInChI=1S/C12H25NO/c1-9(10-5-6-10)13-11(8-14)7-12(2,3)4/h9-11,13-14H,5-8H2,1-4H3
InChIKeySBVVFHQVLYPIES-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds5

About 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol

2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 115895052) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
PubChem CID115895052
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(NC(CO)CC(C)(C)C)C1CC1
InChIInChI=1S/C12H25NO/c1-9(10-5-6-10)13-11(8-14)7-12(2,3)4/h9-11,13-14H,5-8H2,1-4H3
InChIKeySBVVFHQVLYPIES-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopentylethylamino)-4,4-dimethylpentan-1-ol
CID 115895050
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643
4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol
CID 115895057
3-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 104925922
2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895065
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895063
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
(3R)-3-(1-cyclopropylethylamino)butan-1-ol
CID 103871785
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol
CID 115724193
2-(hexan-3-ylamino)-4,4-dimethylpentan-1-ol
CID 115906532

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol (CID 115895052) is 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol is CC(NC(CO)CC(C)(C)C)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is SBVVFHQVLYPIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(10-5-6-10)13-11(8-14)7-12(2,3)4/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol?
2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 115895052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).