diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine

C17H39N5 — CID 143845115

IUPACdiazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
SMILESC=NN(/C=C(\N)CCCCCC)CCCC(C)C.CC.[H]/N=N/[H]
InChIInChI=1S/C15H31N3.C2H6.H2N2/c1-5-6-7-8-11-15(16)13-18(17-4)12-9-10-14(2)3;2*1-2/h13-14H,4-12,16H2,1-3H3;1-2H3;1-2H/b15-13-;;2-1+
InChIKeyIAKUBDDQZDGRNL-NHTVAOIBSA-N
MW313.53 g/mol
LogP5.73
Rot. Bonds11

About diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine

diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine (PubChem CID 143845115) has the molecular formula C17H39N5 and a molecular weight of 313.53 g/mol. Its IUPAC name is diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine.

Molecular Properties

Compound Namediazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
PubChem CID143845115
Molecular FormulaC17H39N5
Molecular Weight313.53 g/mol
Exact Mass313.32
IUPAC Namediazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
SMILESC=NN(/C=C(\N)CCCCCC)CCCC(C)C.CC.[H]/N=N/[H]
InChIInChI=1S/C15H31N3.C2H6.H2N2/c1-5-6-7-8-11-15(16)13-18(17-4)12-9-10-14(2)3;2*1-2/h13-14H,4-12,16H2,1-3H3;1-2H3;1-2H/b15-13-;;2-1+
InChIKeyIAKUBDDQZDGRNL-NHTVAOIBSA-N
XLogP5.73
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-N-(methylideneamino)-1-N-(2-methylpropyl)hept-1-ene-1,2-diamine
CID 88224162
(Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine
CID 134358829
(Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine
CID 134358903
(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
CID 143845116
ethane;(Z)-1-N-hexyl-1-N-(methylideneamino)hex-1-ene-1,2-diamine
CID 143906997
N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine
CID 143961676
ethane;methanimine;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
CID 144001775
ethane;(Z)-1-N-hexyl-1-N-(methylideneamino)hept-1-ene-1,2-diamine
CID 144029148
ethane;(Z)-1-N-hexyl-1-N-(methylideneamino)hex-1-ene-1,2-diamine
CID 144161804
diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-pentyloct-1-ene-1,2-diamine
CID 144172111
(Z)-1-[amino(5-methylheptyl)amino]hept-1-en-2-amine;ethene
CID 144493060
(Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene
CID 144944957

Frequently Asked Questions

What is the IUPAC name of diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine?
The IUPAC name of diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine (CID 143845115) is diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine.
What is the SMILES notation for diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine?
The canonical SMILES for diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine is C=NN(/C=C(\N)CCCCCC)CCCC(C)C.CC.[H]/N=N/[H].
What is the InChIKey of diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine?
The InChIKey is IAKUBDDQZDGRNL-NHTVAOIBSA-N. The full InChI is InChI=1S/C15H31N3.C2H6.H2N2/c1-5-6-7-8-11-15(16)13-18(17-4)12-9-10-14(2)3;2*1-2/h13-14H,4-12,16H2,1-3H3;1-2H3;1-2H/b15-13-;;2-1+.
What are the key properties of diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine?
diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine has a molecular weight of 313.53 g/mol, XLogP of 5.73, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine is sourced from PubChem (CID 143845115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).