N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine

C16H30N2 — CID 114620816

IUPACN-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1C1C=CCCC1
InChIInChI=1S/C16H30N2/c1-14(2)12-17-13-16-10-6-7-11-18(16)15-8-4-3-5-9-15/h4,8,14-17H,3,5-7,9-13H2,1-2H3
InChIKeyZRPHZZMZDFJMFR-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.20
Rot. Bonds5

About N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine

N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114620816) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID114620816
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1C1C=CCCC1
InChIInChI=1S/C16H30N2/c1-14(2)12-17-13-16-10-6-7-11-18(16)15-8-4-3-5-9-15/h4,8,14-17H,3,5-7,9-13H2,1-2H3
InChIKeyZRPHZZMZDFJMFR-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine
CID 114620815
4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
CID 170221751
3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol
CID 82844673
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
1-cyclohex-2-en-1-yl-2-methylpyrrolidine
CID 126995474
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65458533

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine (CID 114620816) is N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCN1C1C=CCCC1.
What is the InChIKey of N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is ZRPHZZMZDFJMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14(2)12-17-13-16-10-6-7-11-18(16)15-8-4-3-5-9-15/h4,8,14-17H,3,5-7,9-13H2,1-2H3.
What are the key properties of N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114620816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).