3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine

C26H55N — CID 122467616

IUPAC3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine
SMILESCCCCCCCCC(CC)C(C)NC(C)C(CC)CCCCCCCC
InChIInChI=1S/C26H55N/c1-7-11-13-15-17-19-21-25(9-3)23(5)27-24(6)26(10-4)22-20-18-16-14-12-8-2/h23-27H,7-22H2,1-6H3
InChIKeyYFLQYOQKAJLJJS-UHFFFAOYSA-N
MW381.73 g/mol
LogP8.91
Rot. Bonds20

About 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine

3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine (PubChem CID 122467616) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine
PubChem CID122467616
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC Name3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine
SMILESCCCCCCCCC(CC)C(C)NC(C)C(CC)CCCCCCCC
InChIInChI=1S/C26H55N/c1-7-11-13-15-17-19-21-25(9-3)23(5)27-24(6)26(10-4)22-20-18-16-14-12-8-2/h23-27H,7-22H2,1-6H3
InChIKeyYFLQYOQKAJLJJS-UHFFFAOYSA-N
XLogP8.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 58.91
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
3-ethyl-N-propyldodecan-2-amine
CID 63400125
9,10-diethyloctadecane
CID 530164
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5,6-diethyldodecane
CID 90761715
4-ethyl-3-methylundecane
CID 57279647
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
8-methyl-7-pentylhexadecane
CID 123739023
5-butyl-6-ethyldodecane
CID 529932
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine?
The IUPAC name of 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine (CID 122467616) is 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine.
What is the SMILES notation for 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine?
The canonical SMILES for 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine is CCCCCCCCC(CC)C(C)NC(C)C(CC)CCCCCCCC.
What is the InChIKey of 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine?
The InChIKey is YFLQYOQKAJLJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N/c1-7-11-13-15-17-19-21-25(9-3)23(5)27-24(6)26(10-4)22-20-18-16-14-12-8-2/h23-27H,7-22H2,1-6H3.
What are the key properties of 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine?
3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine has a molecular weight of 381.73 g/mol, XLogP of 8.91, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine is sourced from PubChem (CID 122467616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).