1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine

C15H31N — CID 65424395

IUPAC1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-5-11-16-15(6-2)14-9-7-13(8-10-14)12(3)4/h12-16H,5-11H2,1-4H3
InChIKeyGBRVBBQNPZJUBT-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine

1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine (PubChem CID 65424395) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
PubChem CID65424395
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-5-11-16-15(6-2)14-9-7-13(8-10-14)12(3)4/h12-16H,5-11H2,1-4H3
InChIKeyGBRVBBQNPZJUBT-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
N-[1-cyclopropyl-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 64610493
1-cyclopropyl-N'-ethyl-N'-(2-methylbutyl)-N-propylethane-1,2-diamine
CID 79476656
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763231
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417
N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115708770
1-cyclopropyl-3-ethyl-N-propylheptan-1-amine
CID 63413488
2-(1-cyclopropylpropylamino)-N-propylpropanamide
CID 64917765

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine (CID 65424395) is 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine is CCCNC(CC)C1CCC(C(C)C)CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine?
The InChIKey is GBRVBBQNPZJUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-11-16-15(6-2)14-9-7-13(8-10-14)12(3)4/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine?
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine is sourced from PubChem (CID 65424395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).