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

C14H28N2 — CID 103071247

IUPACN-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(CCC)C1
InChIInChI=1S/C14H28N2/c1-5-6-14-7-8-16(11-14)10-13(4)9-15-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyOFRSHJHUVNLKRO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds7

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

N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103071247) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103071247
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(CCC)C1
InChIInChI=1S/C14H28N2/c1-5-6-14-7-8-16(11-14)10-13(4)9-15-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyOFRSHJHUVNLKRO-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol
CID 103071403
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
CID 103069109
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069327
2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068857
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070890
2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068829
N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071243
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (CID 103071247) is N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is C=C(CNC(C)C)CN1CCC(CCC)C1.
What is the InChIKey of N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is OFRSHJHUVNLKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-14-7-8-16(11-14)10-13(4)9-15-12(2)3/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).