N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine

C14H28N2 — CID 103071251

IUPACN-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCC(CCC)C1
InChIInChI=1S/C14H28N2/c1-4-6-14-7-9-16(12-14)11-13(3)10-15-8-5-2/h14-15H,3-12H2,1-2H3
InChIKeyLGJRUINKDRBCCP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds8

About N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine

N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103071251) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103071251
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCC(CCC)C1
InChIInChI=1S/C14H28N2/c1-4-6-14-7-9-16(12-14)11-13(3)10-15-8-5-2/h14-15H,3-12H2,1-2H3
InChIKeyLGJRUINKDRBCCP-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
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

1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071247
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
CID 103197898
5-propyl-1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one
CID 103072526
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847
2-[(4-methylsulfanylazepan-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 114237800
2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol
CID 103071403
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
CID 83963196
N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071243
4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
CID 103071087

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (CID 103071251) is N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is C=C(CNCCC)CN1CCC(CCC)C1.
What is the InChIKey of N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is LGJRUINKDRBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-6-14-7-9-16(12-14)11-13(3)10-15-8-5-2/h14-15H,3-12H2,1-2H3.
What are the key properties of N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).