2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine

C17H37N — CID 81016736

IUPAC2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine
SMILESCCCCCCCCC(C)C(C)CNCC(C)C
InChIInChI=1S/C17H37N/c1-6-7-8-9-10-11-12-16(4)17(5)14-18-13-15(2)3/h15-18H,6-14H2,1-5H3
InChIKeyCBUGKIPARKJSMY-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.25
Rot. Bonds12

About 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine

2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine (PubChem CID 81016736) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine
PubChem CID81016736
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine
SMILESCCCCCCCCC(C)C(C)CNCC(C)C
InChIInChI=1S/C17H37N/c1-6-7-8-9-10-11-12-16(4)17(5)14-18-13-15(2)3/h15-18H,6-14H2,1-5H3
InChIKeyCBUGKIPARKJSMY-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.25
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

11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
4,5-dimethylnonadecane
CID 123321090
2,3-dimethyl-N-propylheptan-1-amine
CID 81015380
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
CID 114210654
2,4,5-trimethyldodecane
CID 123969029
2,3,14,15-tetramethylhenicosane
CID 123460288

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine (CID 81016736) is 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine is CCCCCCCCC(C)C(C)CNCC(C)C.
What is the InChIKey of 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine?
The InChIKey is CBUGKIPARKJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-6-7-8-9-10-11-12-16(4)17(5)14-18-13-15(2)3/h15-18H,6-14H2,1-5H3.
What are the key properties of 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine?
2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine is sourced from PubChem (CID 81016736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).