5-ethyl-4-methylundecan-1-amine

C14H31N — CID 123603936

IUPAC5-ethyl-4-methylundecan-1-amine
SMILESCCCCCCC(CC)C(C)CCCN
InChIInChI=1S/C14H31N/c1-4-6-7-8-11-14(5-2)13(3)10-9-12-15/h13-14H,4-12,15H2,1-3H3
InChIKeyLDJKRAKERVDGBE-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.36
Rot. Bonds10

About 5-ethyl-4-methylundecan-1-amine

5-ethyl-4-methylundecan-1-amine (PubChem CID 123603936) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 5-ethyl-4-methylundecan-1-amine.

Molecular Properties

Compound Name5-ethyl-4-methylundecan-1-amine
PubChem CID123603936
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name5-ethyl-4-methylundecan-1-amine
SMILESCCCCCCC(CC)C(C)CCCN
InChIInChI=1S/C14H31N/c1-4-6-7-8-11-14(5-2)13(3)10-9-12-15/h13-14H,4-12,15H2,1-3H3
InChIKeyLDJKRAKERVDGBE-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-7-methylhexadecane
CID 56974440
4-ethyl-3-methylundecane
CID 57279647
8-methyl-7-pentylhexadecane
CID 123739023
9,10-diethyloctadecane
CID 530164
11-butyl-12-methyldocosane
CID 151619606
9-butyl-10-methyloctadecane
CID 174796911
9,10-dioctylhenicosan-1-amine
CID 123803716
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5,6-diethyldodecane
CID 90761715
5-butyl-6-ethyldodecane
CID 529932
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methylundecan-1-amine?
The IUPAC name of 5-ethyl-4-methylundecan-1-amine (CID 123603936) is 5-ethyl-4-methylundecan-1-amine.
What is the SMILES notation for 5-ethyl-4-methylundecan-1-amine?
The canonical SMILES for 5-ethyl-4-methylundecan-1-amine is CCCCCCC(CC)C(C)CCCN.
What is the InChIKey of 5-ethyl-4-methylundecan-1-amine?
The InChIKey is LDJKRAKERVDGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-4-6-7-8-11-14(5-2)13(3)10-9-12-15/h13-14H,4-12,15H2,1-3H3.
What are the key properties of 5-ethyl-4-methylundecan-1-amine?
5-ethyl-4-methylundecan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methylundecan-1-amine is sourced from PubChem (CID 123603936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).