ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine

C11H24N2 — CID 143945003

IUPACethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine
SMILESC=C/C(CCCN)=C(/C)NC.CC
InChIInChI=1S/C9H18N2.C2H6/c1-4-9(6-5-7-10)8(2)11-3;1-2/h4,11H,1,5-7,10H2,2-3H3;1-2H3/b9-8+;
InChIKeyQLERHIDFAKIRED-HRNDJLQDSA-N
MW184.33 g/mol
LogP2.43
Rot. Bonds5

About ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine

ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine (PubChem CID 143945003) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine.

Molecular Properties

Compound Nameethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine
PubChem CID143945003
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine
SMILESC=C/C(CCCN)=C(/C)NC.CC
InChIInChI=1S/C9H18N2.C2H6/c1-4-9(6-5-7-10)8(2)11-3;1-2/h4,11H,1,5-7,10H2,2-3H3;1-2H3/b9-8+;
InChIKeyQLERHIDFAKIRED-HRNDJLQDSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.43
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

5-amino-2-propan-2-ylidenepentanal
CID 173295367
(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
CID 163753108
(E)-4-methylhex-4-en-1-amine
CID 55285525
5-amino-N-methyl-2-propan-2-ylidenepentanamide
CID 156782224
7-amino-2-methylhept-2-en-4-one
CID 116553411
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
(3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol
CID 142908149
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
acetic acid;N-(3-aminopropyl)prop-2-enamide
CID 173132431
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine
CID 129204127

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine?
The IUPAC name of ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine (CID 143945003) is ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine.
What is the SMILES notation for ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine?
The canonical SMILES for ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine is C=C/C(CCCN)=C(/C)NC.CC.
What is the InChIKey of ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine?
The InChIKey is QLERHIDFAKIRED-HRNDJLQDSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-4-9(6-5-7-10)8(2)11-3;1-2/h4,11H,1,5-7,10H2,2-3H3;1-2H3/b9-8+;.
What are the key properties of ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine?
ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine is sourced from PubChem (CID 143945003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).