N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine

C8H16N2 — CID 90141646

IUPACN-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine
SMILESC/C=C(C)/C(C)=N/N(C)C
InChIInChI=1S/C8H16N2/c1-6-7(2)8(3)9-10(4)5/h6H,1-5H3/b7-6+,9-8+
InChIKeyCPHQQWVEZJOPJH-BLHCBFLLSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds2

About N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine

N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine (PubChem CID 90141646) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine
PubChem CID90141646
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine
SMILESC/C=C(C)/C(C)=N/N(C)C
InChIInChI=1S/C8H16N2/c1-6-7(2)8(3)9-10(4)5/h6H,1-5H3/b7-6+,9-8+
InChIKeyCPHQQWVEZJOPJH-BLHCBFLLSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine (CID 90141646) is N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine is C/C=C(C)/C(C)=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine?
The InChIKey is CPHQQWVEZJOPJH-BLHCBFLLSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-7(2)8(3)9-10(4)5/h6H,1-5H3/b7-6+,9-8+.
What are the key properties of N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine?
N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine has a molecular weight of 140.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine is sourced from PubChem (CID 90141646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).