N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine

C15H28N2 — CID 107906360

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
SMILESCC1CCCCN1CCCNC1C=CCCC1
InChIInChI=1S/C15H28N2/c1-14-8-5-6-12-17(14)13-7-11-16-15-9-3-2-4-10-15/h3,9,14-16H,2,4-8,10-13H2,1H3
InChIKeyDWVGTVZPVAXLKZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds5

About N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine

N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine (PubChem CID 107906360) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
PubChem CID107906360
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
SMILESCC1CCCCN1CCCNC1C=CCCC1
InChIInChI=1S/C15H28N2/c1-14-8-5-6-12-17(14)13-7-11-16-15-9-3-2-4-10-15/h3,9,14-16H,2,4-8,10-13H2,1H3
InChIKeyDWVGTVZPVAXLKZ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
CID 60886265
N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65087209
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43079554
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-(4-methylsulfanylbutyl)cyclohex-2-en-1-amine
CID 107234447
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
CID 107908089
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43225481
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine (CID 107906360) is N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine is CC1CCCCN1CCCNC1C=CCCC1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine?
The InChIKey is DWVGTVZPVAXLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-14-8-5-6-12-17(14)13-7-11-16-15-9-3-2-4-10-15/h3,9,14-16H,2,4-8,10-13H2,1H3.
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 107906360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).