(3E)-3-ethylidene-N-methyloct-1-en-4-amine

C11H21N — CID 129132264

IUPAC(3E)-3-ethylidene-N-methyloct-1-en-4-amine
SMILESC=C/C(=C\C)C(CCCC)NC
InChIInChI=1S/C11H21N/c1-5-8-9-11(12-4)10(6-2)7-3/h6-7,11-12H,2,5,8-9H2,1,3-4H3/b10-7+
InChIKeyNMAVDJQDVDYDLH-JXMROGBWSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds6

About (3E)-3-ethylidene-N-methyloct-1-en-4-amine

(3E)-3-ethylidene-N-methyloct-1-en-4-amine (PubChem CID 129132264) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3E)-3-ethylidene-N-methyloct-1-en-4-amine.

Molecular Properties

Compound Name(3E)-3-ethylidene-N-methyloct-1-en-4-amine
PubChem CID129132264
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3E)-3-ethylidene-N-methyloct-1-en-4-amine
SMILESC=C/C(=C\C)C(CCCC)NC
InChIInChI=1S/C11H21N/c1-5-8-9-11(12-4)10(6-2)7-3/h6-7,11-12H,2,5,8-9H2,1,3-4H3/b10-7+
InChIKeyNMAVDJQDVDYDLH-JXMROGBWSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.90
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

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2-methyl-N-propan-2-ylhexanamide
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CID 21024660
4-methylnon-1-en-3-one
CID 24974485
(4Z)-4-ethylidene-5-methylnonane
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N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide
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(3E)-4-fluoro-6-methyl-5-methylidenedeca-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-N-methyloct-1-en-4-amine?
The IUPAC name of (3E)-3-ethylidene-N-methyloct-1-en-4-amine (CID 129132264) is (3E)-3-ethylidene-N-methyloct-1-en-4-amine.
What is the SMILES notation for (3E)-3-ethylidene-N-methyloct-1-en-4-amine?
The canonical SMILES for (3E)-3-ethylidene-N-methyloct-1-en-4-amine is C=C/C(=C\C)C(CCCC)NC.
What is the InChIKey of (3E)-3-ethylidene-N-methyloct-1-en-4-amine?
The InChIKey is NMAVDJQDVDYDLH-JXMROGBWSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-9-11(12-4)10(6-2)7-3/h6-7,11-12H,2,5,8-9H2,1,3-4H3/b10-7+.
What are the key properties of (3E)-3-ethylidene-N-methyloct-1-en-4-amine?
(3E)-3-ethylidene-N-methyloct-1-en-4-amine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-N-methyloct-1-en-4-amine is sourced from PubChem (CID 129132264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).