7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine

C19H39N — CID 146539500

IUPAC7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine
SMILESC=CCCC(CC)CC(C)C(C)(CCC)CCCNC
InChIInChI=1S/C19H39N/c1-7-10-12-18(9-3)16-17(4)19(5,13-8-2)14-11-15-20-6/h7,17-18,20H,1,8-16H2,2-6H3
InChIKeyUCMREQDYCMUJIS-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.81
Rot. Bonds13

About 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine

7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine (PubChem CID 146539500) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine.

Molecular Properties

Compound Name7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine
PubChem CID146539500
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine
SMILESC=CCCC(CC)CC(C)C(C)(CCC)CCCNC
InChIInChI=1S/C19H39N/c1-7-10-12-18(9-3)16-17(4)19(5,13-8-2)14-11-15-20-6/h7,17-18,20H,1,8-16H2,2-6H3
InChIKeyUCMREQDYCMUJIS-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine?
The IUPAC name of 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine (CID 146539500) is 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine.
What is the SMILES notation for 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine?
The canonical SMILES for 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine is C=CCCC(CC)CC(C)C(C)(CCC)CCCNC.
What is the InChIKey of 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine?
The InChIKey is UCMREQDYCMUJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-7-10-12-18(9-3)16-17(4)19(5,13-8-2)14-11-15-20-6/h7,17-18,20H,1,8-16H2,2-6H3.
What are the key properties of 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine?
7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.81, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine is sourced from PubChem (CID 146539500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).