(4Z,6Z)-6-methylocta-4,6-dien-4-amine

C9H17N — CID 139365447

IUPAC(4Z,6Z)-6-methylocta-4,6-dien-4-amine
SMILESC/C=C(C)\C=C(/N)CCC
InChIInChI=1S/C9H17N/c1-4-6-9(10)7-8(3)5-2/h5,7H,4,6,10H2,1-3H3/b8-5-,9-7-
InChIKeyRKLXKCMQQMQXPF-IOUWKBNPSA-N
MW139.24 g/mol
LogP2.60
Rot. Bonds3

About (4Z,6Z)-6-methylocta-4,6-dien-4-amine

(4Z,6Z)-6-methylocta-4,6-dien-4-amine (PubChem CID 139365447) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (4Z,6Z)-6-methylocta-4,6-dien-4-amine.

Molecular Properties

Compound Name(4Z,6Z)-6-methylocta-4,6-dien-4-amine
PubChem CID139365447
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(4Z,6Z)-6-methylocta-4,6-dien-4-amine
SMILESC/C=C(C)\C=C(/N)CCC
InChIInChI=1S/C9H17N/c1-4-6-9(10)7-8(3)5-2/h5,7H,4,6,10H2,1-3H3/b8-5-,9-7-
InChIKeyRKLXKCMQQMQXPF-IOUWKBNPSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
ethyl (E)-3-aminohex-2-enoate
CID 10986503
tert-butyl 3-aminohex-2-enoate
CID 86021174
(E)-5-amino-3-methyloct-4-en-2-ol
CID 170052335
6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one
CID 75298246
(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
CID 142809579
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
(4Z,6Z)-4-amino-6-methyl-3-oxoocta-4,6-dienal
CID 144627907
ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
CID 143267495
5-methyloct-4-en-4-amine
CID 176900512

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-6-methylocta-4,6-dien-4-amine?
The IUPAC name of (4Z,6Z)-6-methylocta-4,6-dien-4-amine (CID 139365447) is (4Z,6Z)-6-methylocta-4,6-dien-4-amine.
What is the SMILES notation for (4Z,6Z)-6-methylocta-4,6-dien-4-amine?
The canonical SMILES for (4Z,6Z)-6-methylocta-4,6-dien-4-amine is C/C=C(C)\C=C(/N)CCC.
What is the InChIKey of (4Z,6Z)-6-methylocta-4,6-dien-4-amine?
The InChIKey is RKLXKCMQQMQXPF-IOUWKBNPSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-9(10)7-8(3)5-2/h5,7H,4,6,10H2,1-3H3/b8-5-,9-7-.
What are the key properties of (4Z,6Z)-6-methylocta-4,6-dien-4-amine?
(4Z,6Z)-6-methylocta-4,6-dien-4-amine has a molecular weight of 139.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-6-methylocta-4,6-dien-4-amine is sourced from PubChem (CID 139365447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).