1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine

C9H16N2 — CID 123361966

IUPAC1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine
SMILESC=C(C)C(=C)N1CCC(N)C1
InChIInChI=1S/C9H16N2/c1-7(2)8(3)11-5-4-9(10)6-11/h9H,1,3-6,10H2,2H3
InChIKeyRVNFWHYOQQISKK-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.11
Rot. Bonds2

About 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine

1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine (PubChem CID 123361966) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine
PubChem CID123361966
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine
SMILESC=C(C)C(=C)N1CCC(N)C1
InChIInChI=1S/C9H16N2/c1-7(2)8(3)11-5-4-9(10)6-11/h9H,1,3-6,10H2,2H3
InChIKeyRVNFWHYOQQISKK-UHFFFAOYSA-N
XLogP1.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
1-(3-aminopiperidin-1-yl)-2-methylprop-2-en-1-one
CID 123753405
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
1-(3-ethenyliminoprop-1-en-2-yl)pyrrolidin-3-amine
CID 145197702
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81469316
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine (CID 123361966) is 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine is C=C(C)C(=C)N1CCC(N)C1.
What is the InChIKey of 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine?
The InChIKey is RVNFWHYOQQISKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)8(3)11-5-4-9(10)6-11/h9H,1,3-6,10H2,2H3.
What are the key properties of 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine?
1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine has a molecular weight of 152.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 123361966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).