N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine

C12H22N2 — CID 155029232

IUPACN-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine
SMILESC=C(NCCC)C1CCCN1C(=C)C
InChIInChI=1S/C12H22N2/c1-5-8-13-11(4)12-7-6-9-14(12)10(2)3/h12-13H,2,4-9H2,1,3H3
InChIKeySXVUIRVOWVTPCJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.50
Rot. Bonds5

About N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine

N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine (PubChem CID 155029232) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine
PubChem CID155029232
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine
SMILESC=C(NCCC)C1CCCN1C(=C)C
InChIInChI=1S/C12H22N2/c1-5-8-13-11(4)12-7-6-9-14(12)10(2)3/h12-13H,2,4-9H2,1,3H3
InChIKeySXVUIRVOWVTPCJ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 59765360
CID 59765360
N-[2,3-di(tetradecoxy)propyl]-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
CID 142283948
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
methyl (2S)-1-[2-(propylcarbamoyl)oxirane-2-carbonyl]pyrrolidine-2-carboxylate
CID 174660791
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
N-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 115570696
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine
CID 139549051
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine?
The IUPAC name of N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine (CID 155029232) is N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine?
The canonical SMILES for N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine is C=C(NCCC)C1CCCN1C(=C)C.
What is the InChIKey of N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine?
The InChIKey is SXVUIRVOWVTPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-8-13-11(4)12-7-6-9-14(12)10(2)3/h12-13H,2,4-9H2,1,3H3.
What are the key properties of N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine?
N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-prop-1-en-2-ylpyrrolidin-2-yl)ethenyl]propan-1-amine is sourced from PubChem (CID 155029232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).