N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine

C11H22N2 — CID 143110117

IUPACN'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine
SMILESC/C=C\C(=C/CC)CCN(C)CN
InChIInChI=1S/C11H22N2/c1-4-6-11(7-5-2)8-9-13(3)10-12/h4,6-7H,5,8-10,12H2,1-3H3/b6-4-,11-7+
InChIKeyWKCOWGUVWASJEX-WXVRQDIQSA-N
MW182.31 g/mol
LogP2.14
Rot. Bonds6

About N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine

N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine (PubChem CID 143110117) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine.

Molecular Properties

Compound NameN'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine
PubChem CID143110117
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine
SMILESC/C=C\C(=C/CC)CCN(C)CN
InChIInChI=1S/C11H22N2/c1-4-6-11(7-5-2)8-9-13(3)10-12/h4,6-7H,5,8-10,12H2,1-3H3/b6-4-,11-7+
InChIKeyWKCOWGUVWASJEX-WXVRQDIQSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 70309386
(Z)-N',N'-dimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine
CID 88268107
1-cyclohexa-1,5-dien-1-yl-N'-methylmethanediamine
CID 89531123
N'-(cyclohexa-1,5-dien-1-ylmethyl)methanediamine
CID 90399795
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
CID 91001797
1-N'-[(Z)-2-methylidenepent-3-enyl]ethane-1,1-diamine
CID 118181212
3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine
CID 123727003
Methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium
CID 123927784
2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine
CID 129272968
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
CID 130347219
N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine
CID 134525395
(Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine
CID 138518695

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine?
The IUPAC name of N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine (CID 143110117) is N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine.
What is the SMILES notation for N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine?
The canonical SMILES for N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine is C/C=C\C(=C/CC)CCN(C)CN.
What is the InChIKey of N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine?
The InChIKey is WKCOWGUVWASJEX-WXVRQDIQSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-6-11(7-5-2)8-9-13(3)10-12/h4,6-7H,5,8-10,12H2,1-3H3/b6-4-,11-7+.
What are the key properties of N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine?
N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine has a molecular weight of 182.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine is sourced from PubChem (CID 143110117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).