(4E)-2-N-methylhepta-2,4-diene-2,5-diamine

C8H16N2 — CID 174083742

IUPAC(4E)-2-N-methylhepta-2,4-diene-2,5-diamine
SMILESCC/C(N)=C\C=C(C)NC
InChIInChI=1S/C8H16N2/c1-4-8(9)6-5-7(2)10-3/h5-6,10H,4,9H2,1-3H3/b7-5?,8-6+
InChIKeyLXPHWNVZSNKAEK-LERWJUDQSA-N
MW140.23 g/mol
LogP1.36
Rot. Bonds3

About (4E)-2-N-methylhepta-2,4-diene-2,5-diamine

(4E)-2-N-methylhepta-2,4-diene-2,5-diamine (PubChem CID 174083742) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (4E)-2-N-methylhepta-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(4E)-2-N-methylhepta-2,4-diene-2,5-diamine
PubChem CID174083742
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(4E)-2-N-methylhepta-2,4-diene-2,5-diamine
SMILESCC/C(N)=C\C=C(C)NC
InChIInChI=1S/C8H16N2/c1-4-8(9)6-5-7(2)10-3/h5-6,10H,4,9H2,1-3H3/b7-5?,8-6+
InChIKeyLXPHWNVZSNKAEK-LERWJUDQSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(E)-5-methyliminohex-3-en-3-amine
CID 171096126
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
4-aminohex-3-en-2-one
CID 57357968
(Z)-hex-3-en-3-amine
CID 18331654
(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine
CID 131965537
(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine
CID 129204127
(Z)-N-methylhept-2-en-2-amine
CID 90448408
O-(N'-ethylcarbamimidoyl) carbamothioate
CID 21150656

Frequently Asked Questions

What is the IUPAC name of (4E)-2-N-methylhepta-2,4-diene-2,5-diamine?
The IUPAC name of (4E)-2-N-methylhepta-2,4-diene-2,5-diamine (CID 174083742) is (4E)-2-N-methylhepta-2,4-diene-2,5-diamine.
What is the SMILES notation for (4E)-2-N-methylhepta-2,4-diene-2,5-diamine?
The canonical SMILES for (4E)-2-N-methylhepta-2,4-diene-2,5-diamine is CC/C(N)=C\C=C(C)NC.
What is the InChIKey of (4E)-2-N-methylhepta-2,4-diene-2,5-diamine?
The InChIKey is LXPHWNVZSNKAEK-LERWJUDQSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(9)6-5-7(2)10-3/h5-6,10H,4,9H2,1-3H3/b7-5?,8-6+.
What are the key properties of (4E)-2-N-methylhepta-2,4-diene-2,5-diamine?
(4E)-2-N-methylhepta-2,4-diene-2,5-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-N-methylhepta-2,4-diene-2,5-diamine is sourced from PubChem (CID 174083742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).