N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine

C14H26N2 — CID 174025772

IUPACN-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)N1CC[C@@H](CCCCC)C1
InChIInChI=1S/C14H26N2/c1-5-6-7-8-14-9-10-16(11-14)13(4)15-12(2)3/h14-15H,2,4-11H2,1,3H3/t14-/m1/s1
InChIKeyPYQWMUKFTVOVGJ-CQSZACIVSA-N
MW222.38 g/mol
LogP3.48
Rot. Bonds7

About N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine

N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine (PubChem CID 174025772) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine
PubChem CID174025772
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)N1CC[C@@H](CCCCC)C1
InChIInChI=1S/C14H26N2/c1-5-6-7-8-14-9-10-16(11-14)13(4)15-12(2)3/h14-15H,2,4-11H2,1,3H3/t14-/m1/s1
InChIKeyPYQWMUKFTVOVGJ-CQSZACIVSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine (CID 174025772) is N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine is C=C(C)NC(=C)N1CC[C@@H](CCCCC)C1.
What is the InChIKey of N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine?
The InChIKey is PYQWMUKFTVOVGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-6-7-8-14-9-10-16(11-14)13(4)15-12(2)3/h14-15H,2,4-11H2,1,3H3/t14-/m1/s1.
What are the key properties of N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine?
N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine has a molecular weight of 222.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-pentylpyrrolidin-1-yl]ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 174025772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).