7-ethoxy-2-methylhept-2-en-4-amine

C10H21NO — CID 105163431

IUPAC7-ethoxy-2-methylhept-2-en-4-amine
SMILESCCOCCCC(N)C=C(C)C
InChIInChI=1S/C10H21NO/c1-4-12-7-5-6-10(11)8-9(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyMTYYJLGPDFFIBF-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds6

About 7-ethoxy-2-methylhept-2-en-4-amine

7-ethoxy-2-methylhept-2-en-4-amine (PubChem CID 105163431) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 7-ethoxy-2-methylhept-2-en-4-amine.

Molecular Properties

Compound Name7-ethoxy-2-methylhept-2-en-4-amine
PubChem CID105163431
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name7-ethoxy-2-methylhept-2-en-4-amine
SMILESCCOCCCC(N)C=C(C)C
InChIInChI=1S/C10H21NO/c1-4-12-7-5-6-10(11)8-9(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyMTYYJLGPDFFIBF-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-4-amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 56942566
4-Amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 76468828
(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine
CID 89260329
(3R)-5-ethoxy-3-[(Z)-prop-1-enyl]hepta-5,6-dien-2-amine
CID 124095390
Molecular hydrogen;6-propoxyhex-1-en-3-amine
CID 144401696
(Z)-1-ethoxy-7-methyloct-5-en-4-amine
CID 146227712
(E,2S,3R)-2-ethoxy-5-methylhept-5-en-3-amine
CID 163670318
(2S,5Z)-5-(oxepan-4-ylidene)pentan-2-amine
CID 169852712
(1R,2E,5Z)-8-(2-methoxyethyl)-4-methylcycloocta-2,5-dien-1-amine
CID 174066033
3-(3-Ethoxypropyl)cyclohex-2-en-1-amine
CID 65178069
3-(3-Ethoxypropyl)cyclopent-2-en-1-amine
CID 65178122
6-Methoxy-2-methylhex-1-en-3-amine
CID 79177285

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-methylhept-2-en-4-amine?
The IUPAC name of 7-ethoxy-2-methylhept-2-en-4-amine (CID 105163431) is 7-ethoxy-2-methylhept-2-en-4-amine.
What is the SMILES notation for 7-ethoxy-2-methylhept-2-en-4-amine?
The canonical SMILES for 7-ethoxy-2-methylhept-2-en-4-amine is CCOCCCC(N)C=C(C)C.
What is the InChIKey of 7-ethoxy-2-methylhept-2-en-4-amine?
The InChIKey is MTYYJLGPDFFIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-12-7-5-6-10(11)8-9(2)3/h8,10H,4-7,11H2,1-3H3.
What are the key properties of 7-ethoxy-2-methylhept-2-en-4-amine?
7-ethoxy-2-methylhept-2-en-4-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-methylhept-2-en-4-amine is sourced from PubChem (CID 105163431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).