4-imino-1,5-dimethoxypent-2-en-2-amine

C7H14N2O2 — CID 57357519

IUPAC4-imino-1,5-dimethoxypent-2-en-2-amine
SMILES[H]/N=C(/C=C(N)COC)COC
InChIInChI=1S/C7H14N2O2/c1-10-4-6(8)3-7(9)5-11-2/h3,8H,4-5,9H2,1-2H3/b7-3?,8-6-
InChIKeyJZWBOKVWKPRGFJ-KGGFFWPWSA-N
MW158.20 g/mol
LogP0.14
Rot. Bonds5

About 4-imino-1,5-dimethoxypent-2-en-2-amine

4-imino-1,5-dimethoxypent-2-en-2-amine (PubChem CID 57357519) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-imino-1,5-dimethoxypent-2-en-2-amine.

Molecular Properties

Compound Name4-imino-1,5-dimethoxypent-2-en-2-amine
PubChem CID57357519
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4-imino-1,5-dimethoxypent-2-en-2-amine
SMILES[H]/N=C(/C=C(N)COC)COC
InChIInChI=1S/C7H14N2O2/c1-10-4-6(8)3-7(9)5-11-2/h3,8H,4-5,9H2,1-2H3/b7-3?,8-6-
InChIKeyJZWBOKVWKPRGFJ-KGGFFWPWSA-N
XLogP0.14
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-amino-4-methoxybut-2-enoate
CID 45122131
propyl (Z)-3-amino-4-methoxybut-2-enoate
CID 88823275
2-iminopent-3-ene-1,4-diamine
CID 147865481
2-(methoxymethoxy)ethanimidamide
CID 10534653
3-aminobut-2-enimidoyl fluoride
CID 149013787
(2E)-1-methoxyhepta-2,4-dien-2-amine
CID 178080633
2-(methoxymethoxy)ethanimidamide;hydrochloride
CID 75421025
1,1-bis(methoxymethyl)guanidine
CID 59912827
(Z)-5-amino-3-iminohex-4-enenitrile
CID 55288877
2-(3-methoxypropoxy)ethanimidamide
CID 60917620
CID 177319664
CID 177319664
2-[2-methoxyethyl(methyl)amino]ethanimidamide
CID 61427043

Frequently Asked Questions

What is the IUPAC name of 4-imino-1,5-dimethoxypent-2-en-2-amine?
The IUPAC name of 4-imino-1,5-dimethoxypent-2-en-2-amine (CID 57357519) is 4-imino-1,5-dimethoxypent-2-en-2-amine.
What is the SMILES notation for 4-imino-1,5-dimethoxypent-2-en-2-amine?
The canonical SMILES for 4-imino-1,5-dimethoxypent-2-en-2-amine is [H]/N=C(/C=C(N)COC)COC.
What is the InChIKey of 4-imino-1,5-dimethoxypent-2-en-2-amine?
The InChIKey is JZWBOKVWKPRGFJ-KGGFFWPWSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-10-4-6(8)3-7(9)5-11-2/h3,8H,4-5,9H2,1-2H3/b7-3?,8-6-.
What are the key properties of 4-imino-1,5-dimethoxypent-2-en-2-amine?
4-imino-1,5-dimethoxypent-2-en-2-amine has a molecular weight of 158.20 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,5-dimethoxypent-2-en-2-amine is sourced from PubChem (CID 57357519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).