methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen

C16H32N2 — CID 142067711

IUPACmethane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen
SMILESC.C/C=C\CC(N)CCNCC1=CC=C(C)CC1.[H][H]
InChIInChI=1S/C15H26N2.CH4.H2/c1-3-4-5-15(16)10-11-17-12-14-8-6-13(2)7-9-14;;/h3-4,6,8,15,17H,5,7,9-12,16H2,1-2H3;1H4;1H/b4-3-;;
InChIKeyZTDVJEPPMDOBBW-GSBNXNDCSA-N
MW252.45 g/mol
LogP3.81
Rot. Bonds7

About methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen

methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen (PubChem CID 142067711) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen.

Molecular Properties

Compound Namemethane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen
PubChem CID142067711
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Namemethane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen
SMILESC.C/C=C\CC(N)CCNCC1=CC=C(C)CC1.[H][H]
InChIInChI=1S/C15H26N2.CH4.H2/c1-3-4-5-15(16)10-11-17-12-14-8-6-13(2)7-9-14;;/h3-4,6,8,15,17H,5,7,9-12,16H2,1-2H3;1H4;1H/b4-3-;;
InChIKeyZTDVJEPPMDOBBW-GSBNXNDCSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen?
The IUPAC name of methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen (CID 142067711) is methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen.
What is the SMILES notation for methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen?
The canonical SMILES for methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen is C.C/C=C\CC(N)CCNCC1=CC=C(C)CC1.[H][H].
What is the InChIKey of methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen?
The InChIKey is ZTDVJEPPMDOBBW-GSBNXNDCSA-N. The full InChI is InChI=1S/C15H26N2.CH4.H2/c1-3-4-5-15(16)10-11-17-12-14-8-6-13(2)7-9-14;;/h3-4,6,8,15,17H,5,7,9-12,16H2,1-2H3;1H4;1H/b4-3-;;.
What are the key properties of methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen?
methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen has a molecular weight of 252.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen is sourced from PubChem (CID 142067711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).