(E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine

C14H28N4 — CID 170175800

IUPAC(E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine
SMILESC=N/N=C(C)\C=C(\N)CCC(CCC)CCNC
InChIInChI=1S/C14H28N4/c1-5-6-13(9-10-16-3)7-8-14(15)11-12(2)18-17-4/h11,13,16H,4-10,15H2,1-3H3/b14-11+,18-12-
InChIKeyMNYLJKOUVKHPJX-UJUKKVGJSA-N
MW252.41 g/mol
LogP2.71
Rot. Bonds10

About (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine

(E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine (PubChem CID 170175800) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine.

Molecular Properties

Compound Name(E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine
PubChem CID170175800
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name(E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine
SMILESC=N/N=C(C)\C=C(\N)CCC(CCC)CCNC
InChIInChI=1S/C14H28N4/c1-5-6-13(9-10-16-3)7-8-14(15)11-12(2)18-17-4/h11,13,16H,4-10,15H2,1-3H3/b14-11+,18-12-
InChIKeyMNYLJKOUVKHPJX-UJUKKVGJSA-N
XLogP2.71
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6Z)-3-ethyl-6-hydrazinylidene-N-methylheptan-1-amine
CID 138457612
N-methyl-3-[(methylideneamino)methyl]pentan-1-amine
CID 166649822
4-[2-[2-(carbamoylamino)ethylcarbamoylamino]ethyl]heptanoic acid
CID 83113037
(Z)-4-N-methylbut-1-ene-1,2,4-triamine
CID 129313260
2-fluoro-5-propylocta-1,7-diene
CID 167182479
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094
2-(2-propylpentyl)guanidine
CID 174332322
(4Z,6Z)-6-methylocta-4,6-dien-4-amine
CID 139365447
4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]heptanoic acid
CID 77033094
N-methyl-3-nonylicos-11-en-1-amine
CID 166036929

Frequently Asked Questions

What is the IUPAC name of (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine?
The IUPAC name of (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine (CID 170175800) is (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine.
What is the SMILES notation for (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine?
The canonical SMILES for (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine is C=N/N=C(C)\C=C(\N)CCC(CCC)CCNC.
What is the InChIKey of (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine?
The InChIKey is MNYLJKOUVKHPJX-UJUKKVGJSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-6-13(9-10-16-3)7-8-14(15)11-12(2)18-17-4/h11,13,16H,4-10,15H2,1-3H3/b14-11+,18-12-.
What are the key properties of (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine?
(E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8Z)-1-N-methyl-8-(methylidenehydrazinylidene)-3-propylnon-6-ene-1,6-diamine is sourced from PubChem (CID 170175800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).