(3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine

C9H17N — CID 88588533

IUPAC(3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(CC)CN
InChIInChI=1S/C9H17N/c1-4-9(7-10)6-5-8(2)3/h5-6,9H,2,4,7,10H2,1,3H3/b6-5-
InChIKeyBLTZBZNLVMDPLC-WAYWQWQTSA-N
MW139.24 g/mol
LogP2.10
Rot. Bonds4

About (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine

(3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine (PubChem CID 88588533) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine
PubChem CID88588533
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(CC)CN
InChIInChI=1S/C9H17N/c1-4-9(7-10)6-5-8(2)3/h5-6,9H,2,4,7,10H2,1,3H3/b6-5-
InChIKeyBLTZBZNLVMDPLC-WAYWQWQTSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine (CID 88588533) is (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine is C=C(C)/C=C\C(CC)CN.
What is the InChIKey of (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine?
The InChIKey is BLTZBZNLVMDPLC-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(7-10)6-5-8(2)3/h5-6,9H,2,4,7,10H2,1,3H3/b6-5-.
What are the key properties of (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine?
(3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 88588533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).