N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine

C8H14N2 — CID 123507155

IUPACN-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine
SMILESC=NC=C(C)CNC1CC1
InChIInChI=1S/C8H14N2/c1-7(5-9-2)6-10-8-3-4-8/h5,8,10H,2-4,6H2,1H3
InChIKeyDKIHQOAEBWSKGD-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds4

About N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine

N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine (PubChem CID 123507155) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine
PubChem CID123507155
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine
SMILESC=NC=C(C)CNC1CC1
InChIInChI=1S/C8H14N2/c1-7(5-9-2)6-10-8-3-4-8/h5,8,10H,2-4,6H2,1H3
InChIKeyDKIHQOAEBWSKGD-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine (CID 123507155) is N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine is C=NC=C(C)CNC1CC1.
What is the InChIKey of N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine?
The InChIKey is DKIHQOAEBWSKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(5-9-2)6-10-8-3-4-8/h5,8,10H,2-4,6H2,1H3.
What are the key properties of N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine?
N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 123507155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).