N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine

C12H22N2 — CID 138654811

IUPACN,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine
SMILESC=C(C)/C=C(/C)N(C)C1CCN(C)C1
InChIInChI=1S/C12H22N2/c1-10(2)8-11(3)14(5)12-6-7-13(4)9-12/h8,12H,1,6-7,9H2,2-5H3/b11-8-
InChIKeyMNQRAFKZMXWAQH-FLIBITNWSA-N
MW194.32 g/mol
LogP2.10
Rot. Bonds3

About N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine

N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine (PubChem CID 138654811) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine
PubChem CID138654811
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine
SMILESC=C(C)/C=C(/C)N(C)C1CCN(C)C1
InChIInChI=1S/C12H22N2/c1-10(2)8-11(3)14(5)12-6-7-13(4)9-12/h8,12H,1,6-7,9H2,2-5H3/b11-8-
InChIKeyMNQRAFKZMXWAQH-FLIBITNWSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine (CID 138654811) is N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine is C=C(C)/C=C(/C)N(C)C1CCN(C)C1.
What is the InChIKey of N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine?
The InChIKey is MNQRAFKZMXWAQH-FLIBITNWSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)8-11(3)14(5)12-6-7-13(4)9-12/h8,12H,1,6-7,9H2,2-5H3/b11-8-.
What are the key properties of N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine?
N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 138654811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).