(2Z,5Z)-N-methylocta-2,5-dien-1-amine

C9H17N — CID 143228963

IUPAC(2Z,5Z)-N-methylocta-2,5-dien-1-amine
SMILESCC/C=C\C/C=C\CNC
InChIInChI=1S/C9H17N/c1-3-4-5-6-7-8-9-10-2/h4-5,7-8,10H,3,6,9H2,1-2H3/b5-4-,8-7-
InChIKeyGJFYCRQYVRFIMT-UTOQUPLUSA-N
MW139.24 g/mol
LogP2.12
Rot. Bonds5

About (2Z,5Z)-N-methylocta-2,5-dien-1-amine

(2Z,5Z)-N-methylocta-2,5-dien-1-amine (PubChem CID 143228963) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z,5Z)-N-methylocta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,5Z)-N-methylocta-2,5-dien-1-amine
PubChem CID143228963
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z,5Z)-N-methylocta-2,5-dien-1-amine
SMILESCC/C=C\C/C=C\CNC
InChIInChI=1S/C9H17N/c1-3-4-5-6-7-8-9-10-2/h4-5,7-8,10H,3,6,9H2,1-2H3/b5-4-,8-7-
InChIKeyGJFYCRQYVRFIMT-UTOQUPLUSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentadeca-3,6,9,12-tetraene
CID 123748490
N-methylhepta-2,4-dien-1-amine
CID 54531369
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
(3Z,6Z)-N-methylnona-3,6-dien-2-amine
CID 139549250
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
N-methylhex-2-en-1-amine
CID 85238647
pent-2-enylhydrazine
CID 162454134
(E)-4-(methylamino)but-2-en-1-ol
CID 11083838
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
(3Z,6Z)-1-bromonona-3,6-diene
CID 14077874

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-N-methylocta-2,5-dien-1-amine?
The IUPAC name of (2Z,5Z)-N-methylocta-2,5-dien-1-amine (CID 143228963) is (2Z,5Z)-N-methylocta-2,5-dien-1-amine.
What is the SMILES notation for (2Z,5Z)-N-methylocta-2,5-dien-1-amine?
The canonical SMILES for (2Z,5Z)-N-methylocta-2,5-dien-1-amine is CC/C=C\C/C=C\CNC.
What is the InChIKey of (2Z,5Z)-N-methylocta-2,5-dien-1-amine?
The InChIKey is GJFYCRQYVRFIMT-UTOQUPLUSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-5-6-7-8-9-10-2/h4-5,7-8,10H,3,6,9H2,1-2H3/b5-4-,8-7-.
What are the key properties of (2Z,5Z)-N-methylocta-2,5-dien-1-amine?
(2Z,5Z)-N-methylocta-2,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-N-methylocta-2,5-dien-1-amine is sourced from PubChem (CID 143228963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).