2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol

C12H25NO — CID 115927781

IUPAC2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol
SMILESCCCCC(C)NC(C)(CO)C1CC1
InChIInChI=1S/C12H25NO/c1-4-5-6-10(2)13-12(3,9-14)11-7-8-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyZQXLNUXTHBHFEG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds7

About 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol

2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol (PubChem CID 115927781) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol
PubChem CID115927781
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol
SMILESCCCCC(C)NC(C)(CO)C1CC1
InChIInChI=1S/C12H25NO/c1-4-5-6-10(2)13-12(3,9-14)11-7-8-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyZQXLNUXTHBHFEG-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]butanamide
CID 115927783
2-amino-2-cyclopropyl-N-hexan-2-ylpropanamide
CID 62198947
2-(heptan-2-ylamino)-2-methylbutan-1-ol
CID 111434889
2-cyclopropyl-2-(3-methylbutylamino)propan-1-ol
CID 75453473
N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43778904
2-cyclopropyl-2-(1-methoxybutan-2-ylamino)propan-1-ol
CID 115927778
N-hexan-2-yl-2,4,4-trimethylpentan-2-amine
CID 43788200
N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788012
2-cyclopentyl-2-(propylamino)propan-1-ol
CID 64758093
2-cyclopropyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62069964
2-cyclopentyl-2-(2-methylpropylamino)propan-1-ol
CID 64757889
3-(hexan-2-ylamino)butan-1-ol
CID 81338957

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol (CID 115927781) is 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol is CCCCC(C)NC(C)(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol?
The InChIKey is ZQXLNUXTHBHFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-10(2)13-12(3,9-14)11-7-8-11/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol?
2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol is sourced from PubChem (CID 115927781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).