(E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine

C12H25NO — CID 116500388

IUPAC(E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine
SMILESCOCCC(C)/C=C/CCNC(C)C
InChIInChI=1S/C12H25NO/c1-11(2)13-9-6-5-7-12(3)8-10-14-4/h5,7,11-13H,6,8-10H2,1-4H3/b7-5+
InChIKeyILLHVPWZECBQGX-FNORWQNLSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds8

About (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine

(E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine (PubChem CID 116500388) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine.

Molecular Properties

Compound Name(E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine
PubChem CID116500388
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine
SMILESCOCCC(C)/C=C/CCNC(C)C
InChIInChI=1S/C12H25NO/c1-11(2)13-9-6-5-7-12(3)8-10-14-4/h5,7,11-13H,6,8-10H2,1-4H3/b7-5+
InChIKeyILLHVPWZECBQGX-FNORWQNLSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
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

(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
CID 79592541
(E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine
CID 80605314
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 64603456
6-methyl-N-propan-2-ylnon-3-en-1-amine
CID 79592090
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
(E)-N-propan-2-ylnon-3-en-7-yn-1-amine
CID 104813633
2-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 62529731
N-(2-methoxyethyl)-4-methylhex-2-en-1-amine
CID 115278166
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
CID 103852873
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
(6R)-6-methylnon-4-ene
CID 175484589

Frequently Asked Questions

What is the IUPAC name of (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine?
The IUPAC name of (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine (CID 116500388) is (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine.
What is the SMILES notation for (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine?
The canonical SMILES for (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine is COCCC(C)/C=C/CCNC(C)C.
What is the InChIKey of (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine?
The InChIKey is ILLHVPWZECBQGX-FNORWQNLSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)13-9-6-5-7-12(3)8-10-14-4/h5,7,11-13H,6,8-10H2,1-4H3/b7-5+.
What are the key properties of (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine?
(E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine is sourced from PubChem (CID 116500388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).