N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine

C10H19N3 — CID 123568221

IUPACN'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine
SMILESC=C(C=C/C(CNCN)=N/C)CC
InChIInChI=1S/C10H19N3/c1-4-9(2)5-6-10(12-3)7-13-8-11/h5-6,13H,2,4,7-8,11H2,1,3H3/b6-5?,12-10-
InChIKeySHXSZZFATJKDEQ-DQNMIAARSA-N
MW181.28 g/mol
LogP1.09
Rot. Bonds6

About N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine

N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine (PubChem CID 123568221) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine.

Molecular Properties

Compound NameN'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine
PubChem CID123568221
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine
SMILESC=C(C=C/C(CNCN)=N/C)CC
InChIInChI=1S/C10H19N3/c1-4-9(2)5-6-10(12-3)7-13-8-11/h5-6,13H,2,4,7-8,11H2,1,3H3/b6-5?,12-10-
InChIKeySHXSZZFATJKDEQ-DQNMIAARSA-N
XLogP1.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-N'-(cyclohexa-1,5-dien-1-ylmethyl)-3-iminobutane-1,1-diamine
CID 88218305
N-methyl-1-[[(Z)-3-methylhex-3-en-2-ylidene]amino]propan-1-amine
CID 123417226
2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine
CID 123557804
N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
CID 123740090
(3Z,5Z)-2,4-dimethyl-7-methylidene-2,8,9,10-tetrahydro-1H-1,3-diazecine
CID 141946683
(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142057520
ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142087922
(1Z)-N-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(propan-2-ylideneamino)methanamine
CID 144276839
(1Z)-N-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(propan-2-ylideneamino)methanamine;prop-1-ene
CID 144276847
sodium N-(2,2-dimethylpropyl)-6-methyl-3H-pyridin-3-id-2-amine
CID 145576050
1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine
CID 155728081
1-[(5Z)-8-ethyl-2,7-dihydroazocin-4-yl]-N-methylmethanamine
CID 166694624

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine?
The IUPAC name of N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine (CID 123568221) is N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine.
What is the SMILES notation for N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine?
The canonical SMILES for N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine is C=C(C=C/C(CNCN)=N/C)CC.
What is the InChIKey of N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine?
The InChIKey is SHXSZZFATJKDEQ-DQNMIAARSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-9(2)5-6-10(12-3)7-13-8-11/h5-6,13H,2,4,7-8,11H2,1,3H3/b6-5?,12-10-.
What are the key properties of N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine?
N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine has a molecular weight of 181.28 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine is sourced from PubChem (CID 123568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).