(2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine

C8H16N2 — CID 135268748

IUPAC(2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine
SMILESC=N/C=C(/CC)CNCC
InChIInChI=1S/C8H16N2/c1-4-8(6-9-3)7-10-5-2/h6,10H,3-5,7H2,1-2H3/b8-6-
InChIKeyOAKVQTCDXRKDOQ-VURMDHGXSA-N
MW140.23 g/mol
LogP1.59
Rot. Bonds5

About (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine

(2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine (PubChem CID 135268748) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine
PubChem CID135268748
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine
SMILESC=N/C=C(/CC)CNCC
InChIInChI=1S/C8H16N2/c1-4-8(6-9-3)7-10-5-2/h6,10H,3-5,7H2,1-2H3/b8-6-
InChIKeyOAKVQTCDXRKDOQ-VURMDHGXSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.59
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 (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine?
The IUPAC name of (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine (CID 135268748) is (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine.
What is the SMILES notation for (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine?
The canonical SMILES for (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine is C=N/C=C(/CC)CNCC.
What is the InChIKey of (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine?
The InChIKey is OAKVQTCDXRKDOQ-VURMDHGXSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(6-9-3)7-10-5-2/h6,10H,3-5,7H2,1-2H3/b8-6-.
What are the key properties of (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine?
(2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine is sourced from PubChem (CID 135268748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).