1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine

C10H18N2 — CID 177359044

IUPAC1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine
SMILESC=C/C(=C\C)N(C)C1(CN)CC1
InChIInChI=1S/C10H18N2/c1-4-9(5-2)12(3)10(8-11)6-7-10/h4-5H,1,6-8,11H2,2-3H3/b9-5+
InChIKeyRSWUVHQDTPYMDB-WEVVVXLNSA-N
MW166.27 g/mol
LogP1.50
Rot. Bonds4

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

1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine (PubChem CID 177359044) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine
PubChem CID177359044
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine
SMILESC=C/C(=C\C)N(C)C1(CN)CC1
InChIInChI=1S/C10H18N2/c1-4-9(5-2)12(3)10(8-11)6-7-10/h4-5H,1,6-8,11H2,2-3H3/b9-5+
InChIKeyRSWUVHQDTPYMDB-WEVVVXLNSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
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 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine (CID 177359044) is 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine is C=C/C(=C\C)N(C)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine?
The InChIKey is RSWUVHQDTPYMDB-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9(5-2)12(3)10(8-11)6-7-10/h4-5H,1,6-8,11H2,2-3H3/b9-5+.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine?
1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(3E)-penta-1,3-dien-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 177359044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).