N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine

C17H28N4 — CID 43779445

IUPACN-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCC(NC1CCN(c2ncccn2)CC1)C1CCCCC1
InChIInChI=1S/C17H28N4/c1-14(15-6-3-2-4-7-15)20-16-8-12-21(13-9-16)17-18-10-5-11-19-17/h5,10-11,14-16,20H,2-4,6-9,12-13H2,1H3
InChIKeyUAFYKZMEOYQXMQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.00
Rot. Bonds4

About N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine

N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 43779445) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID43779445
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCC(NC1CCN(c2ncccn2)CC1)C1CCCCC1
InChIInChI=1S/C17H28N4/c1-14(15-6-3-2-4-7-15)20-16-8-12-21(13-9-16)17-18-10-5-11-19-17/h5,10-11,14-16,20H,2-4,6-9,12-13H2,1H3
InChIKeyUAFYKZMEOYQXMQ-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 94816783
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
CID 156639658
N-(4-methylcyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675571

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine (CID 43779445) is N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine is CC(NC1CCN(c2ncccn2)CC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is UAFYKZMEOYQXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-14(15-6-3-2-4-7-15)20-16-8-12-21(13-9-16)17-18-10-5-11-19-17/h5,10-11,14-16,20H,2-4,6-9,12-13H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43779445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).