N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine

C9H15N — CID 166853883

IUPACN-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine
SMILESC=C(/C=C\C)C1CC1NC
InChIInChI=1S/C9H15N/c1-4-5-7(2)8-6-9(8)10-3/h4-5,8-10H,2,6H2,1,3H3/b5-4-
InChIKeySUUUDJYTBFITTO-PLNGDYQASA-N
MW137.23 g/mol
LogP1.73
Rot. Bonds3

About N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine

N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine (PubChem CID 166853883) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine
PubChem CID166853883
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine
SMILESC=C(/C=C\C)C1CC1NC
InChIInChI=1S/C9H15N/c1-4-5-7(2)8-6-9(8)10-3/h4-5,8-10H,2,6H2,1,3H3/b5-4-
InChIKeySUUUDJYTBFITTO-PLNGDYQASA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine?
The IUPAC name of N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine (CID 166853883) is N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine is C=C(/C=C\C)C1CC1NC.
What is the InChIKey of N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine?
The InChIKey is SUUUDJYTBFITTO-PLNGDYQASA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-7(2)8-6-9(8)10-3/h4-5,8-10H,2,6H2,1,3H3/b5-4-.
What are the key properties of N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine?
N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3Z)-penta-1,3-dien-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 166853883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).