(3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen

C10H20N2 — CID 143106628

IUPAC(3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen
SMILESC=C/C(NC)=C(\C=C)NCCC.[H][H]
InChIInChI=1S/C10H18N2.H2/c1-5-8-12-10(7-3)9(6-2)11-4;/h6-7,11-12H,2-3,5,8H2,1,4H3;1H/b10-9-;
InChIKeyPQMOMFWIWNZHLP-KVVVOXFISA-N
MW168.28 g/mol
LogP2.04
Rot. Bonds6

About (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen

(3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen (PubChem CID 143106628) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen.

Molecular Properties

Compound Name(3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen
PubChem CID143106628
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen
SMILESC=C/C(NC)=C(\C=C)NCCC.[H][H]
InChIInChI=1S/C10H18N2.H2/c1-5-8-12-10(7-3)9(6-2)11-4;/h6-7,11-12H,2-3,5,8H2,1,4H3;1H/b10-9-;
InChIKeyPQMOMFWIWNZHLP-KVVVOXFISA-N
XLogP2.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.04
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

molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]octan-1-amine
CID 144897168
(3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine
CID 178136835
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
(E)-1-(propylamino)but-1-en-1-ol
CID 167241993
(3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol
CID 142908149
N-methylacetamide;N-propylacetamide
CID 160752156
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine
CID 156713243
ethane;prop-1-ene;propylurea
CID 142245891
N-methyl-2-methylidene-N'-propylpropanediamide
CID 102186954
2-(but-3-en-2-ylideneamino)-N-propylacetamide
CID 123402459

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen?
The IUPAC name of (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen (CID 143106628) is (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen.
What is the SMILES notation for (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen?
The canonical SMILES for (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen is C=C/C(NC)=C(\C=C)NCCC.[H][H].
What is the InChIKey of (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen?
The InChIKey is PQMOMFWIWNZHLP-KVVVOXFISA-N. The full InChI is InChI=1S/C10H18N2.H2/c1-5-8-12-10(7-3)9(6-2)11-4;/h6-7,11-12H,2-3,5,8H2,1,4H3;1H/b10-9-;.
What are the key properties of (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen?
(3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen has a molecular weight of 168.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-N-methyl-4-N-propylhexa-1,3,5-triene-3,4-diamine;molecular hydrogen is sourced from PubChem (CID 143106628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).