5-ethyl-2-methyl-N-propylhept-1-en-4-amine

C13H27N — CID 105004318

IUPAC5-ethyl-2-methyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(NCCC)C(CC)CC
InChIInChI=1S/C13H27N/c1-6-9-14-13(10-11(4)5)12(7-2)8-3/h12-14H,4,6-10H2,1-3,5H3
InChIKeyISNYULCFIHEXFL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds8

About 5-ethyl-2-methyl-N-propylhept-1-en-4-amine

5-ethyl-2-methyl-N-propylhept-1-en-4-amine (PubChem CID 105004318) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-propylhept-1-en-4-amine
PubChem CID105004318
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5-ethyl-2-methyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(NCCC)C(CC)CC
InChIInChI=1S/C13H27N/c1-6-9-14-13(10-11(4)5)12(7-2)8-3/h12-14H,4,6-10H2,1-3,5H3
InChIKeyISNYULCFIHEXFL-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
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

5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
CID 116721629
3-methylidene-N,6-dipropylnonan-5-amine
CID 105005823
1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
CID 116723864
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
CID 79185950
5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine
CID 116758190
3-methoxy-7-methyl-N-propyloct-7-en-4-amine
CID 114475941
1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine
CID 103546990
2-methyl-N-propyltridec-1-en-4-amine
CID 105004090
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 105013715
3-ethyl-N-propyloct-6-yn-4-amine
CID 115819984
2-methoxy-2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79198392

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-propylhept-1-en-4-amine?
The IUPAC name of 5-ethyl-2-methyl-N-propylhept-1-en-4-amine (CID 105004318) is 5-ethyl-2-methyl-N-propylhept-1-en-4-amine.
What is the SMILES notation for 5-ethyl-2-methyl-N-propylhept-1-en-4-amine?
The canonical SMILES for 5-ethyl-2-methyl-N-propylhept-1-en-4-amine is C=C(C)CC(NCCC)C(CC)CC.
What is the InChIKey of 5-ethyl-2-methyl-N-propylhept-1-en-4-amine?
The InChIKey is ISNYULCFIHEXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-9-14-13(10-11(4)5)12(7-2)8-3/h12-14H,4,6-10H2,1-3,5H3.
What are the key properties of 5-ethyl-2-methyl-N-propylhept-1-en-4-amine?
5-ethyl-2-methyl-N-propylhept-1-en-4-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-propylhept-1-en-4-amine is sourced from PubChem (CID 105004318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).