4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol

C16H29NO — CID 163517383

IUPAC4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol
SMILESC=C(N)C(CC(O)C1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C16H29NO/c1-11(17)14(12-4-5-12)10-15(18)13-6-8-16(2,3)9-7-13/h12-15,18H,1,4-10,17H2,2-3H3
InChIKeyDHWXWMDLUTYEJE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.45
Rot. Bonds5

About 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol

4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol (PubChem CID 163517383) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol.

Molecular Properties

Compound Name4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol
PubChem CID163517383
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol
SMILESC=C(N)C(CC(O)C1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C16H29NO/c1-11(17)14(12-4-5-12)10-15(18)13-6-8-16(2,3)9-7-13/h12-15,18H,1,4-10,17H2,2-3H3
InChIKeyDHWXWMDLUTYEJE-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol?
The IUPAC name of 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol (CID 163517383) is 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol.
What is the SMILES notation for 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol?
The canonical SMILES for 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol is C=C(N)C(CC(O)C1CCC(C)(C)CC1)C1CC1.
What is the InChIKey of 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol?
The InChIKey is DHWXWMDLUTYEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(17)14(12-4-5-12)10-15(18)13-6-8-16(2,3)9-7-13/h12-15,18H,1,4-10,17H2,2-3H3.
What are the key properties of 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol?
4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol is sourced from PubChem (CID 163517383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).