N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine

C15H28N2 — CID 106637323

IUPACN-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine
SMILESCC(C)N(CC1CCCNC1)C1C=CCCC1
InChIInChI=1S/C15H28N2/c1-13(2)17(15-8-4-3-5-9-15)12-14-7-6-10-16-11-14/h4,8,13-16H,3,5-7,9-12H2,1-2H3
InChIKeyYQIKAZRRGCCQTK-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.81
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine

N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine (PubChem CID 106637323) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine
PubChem CID106637323
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine
SMILESCC(C)N(CC1CCCNC1)C1C=CCCC1
InChIInChI=1S/C15H28N2/c1-13(2)17(15-8-4-3-5-9-15)12-14-7-6-10-16-11-14/h4,8,13-16H,3,5-7,9-12H2,1-2H3
InChIKeyYQIKAZRRGCCQTK-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.81
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

4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624180
2-methylsulfonyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106624303
3-ethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106624200
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106663562
N-ethyl-N-(piperidin-4-ylmethyl)cyclohex-2-en-1-amine
CID 114620607
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine (CID 106637323) is N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine is CC(C)N(CC1CCCNC1)C1C=CCCC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine?
The InChIKey is YQIKAZRRGCCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2)17(15-8-4-3-5-9-15)12-14-7-6-10-16-11-14/h4,8,13-16H,3,5-7,9-12H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine?
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 106637323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).