N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C15H28N2 — CID 60957463

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCC1CC=CCC1)CN1CCCC1
InChIInChI=1S/C15H28N2/c1-14(13-17-9-5-6-10-17)11-16-12-15-7-3-2-4-8-15/h2-3,14-16H,4-13H2,1H3
InChIKeyHHCFDMZTVCRVDG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.66
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 60957463) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID60957463
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCC1CC=CCC1)CN1CCCC1
InChIInChI=1S/C15H28N2/c1-14(13-17-9-5-6-10-17)11-16-12-15-7-3-2-4-8-15/h2-3,14-16H,4-13H2,1H3
InChIKeyHHCFDMZTVCRVDG-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.66
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

2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059
2-methyl-N-(oxan-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55136389
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 62065814
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine
CID 115255377
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 106594618
1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 62991174
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 55141526
5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
CID 107267824
2-methyl-3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63770721
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 60957463) is N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCC1CC=CCC1)CN1CCCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is HHCFDMZTVCRVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-14(13-17-9-5-6-10-17)11-16-12-15-7-3-2-4-8-15/h2-3,14-16H,4-13H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 60957463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).