N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine

C14H24N2 — CID 70645878

IUPACN-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine
SMILESC=C(CC)N[C@H](C(=C)N1CCCC1)C1CC1
InChIInChI=1S/C14H24N2/c1-4-11(2)15-14(13-7-8-13)12(3)16-9-5-6-10-16/h13-15H,2-10H2,1H3/t14-/m1/s1
InChIKeySELFUKDPGOVBOA-CQSZACIVSA-N
MW220.36 g/mol
LogP2.89
Rot. Bonds6

About N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine

N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine (PubChem CID 70645878) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine
PubChem CID70645878
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine
SMILESC=C(CC)N[C@H](C(=C)N1CCCC1)C1CC1
InChIInChI=1S/C14H24N2/c1-4-11(2)15-14(13-7-8-13)12(3)16-9-5-6-10-16/h13-15H,2-10H2,1H3/t14-/m1/s1
InChIKeySELFUKDPGOVBOA-CQSZACIVSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine?
The IUPAC name of N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine (CID 70645878) is N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine is C=C(CC)N[C@H](C(=C)N1CCCC1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine?
The InChIKey is SELFUKDPGOVBOA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-11(2)15-14(13-7-8-13)12(3)16-9-5-6-10-16/h13-15H,2-10H2,1H3/t14-/m1/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine?
N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine has a molecular weight of 220.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine is sourced from PubChem (CID 70645878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).