N-ethyl-3-methyl-3-propyldodecan-1-amine

C18H39N — CID 163931988

IUPACN-ethyl-3-methyl-3-propyldodecan-1-amine
SMILESCCCCCCCCCC(C)(CCC)CCNCC
InChIInChI=1S/C18H39N/c1-5-8-9-10-11-12-13-15-18(4,14-6-2)16-17-19-7-3/h19H,5-17H2,1-4H3
InChIKeyRJLKTTSXDYAYKB-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.93
Rot. Bonds14

About N-ethyl-3-methyl-3-propyldodecan-1-amine

N-ethyl-3-methyl-3-propyldodecan-1-amine (PubChem CID 163931988) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-propyldodecan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-propyldodecan-1-amine
PubChem CID163931988
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-ethyl-3-methyl-3-propyldodecan-1-amine
SMILESCCCCCCCCCC(C)(CCC)CCNCC
InChIInChI=1S/C18H39N/c1-5-8-9-10-11-12-13-15-18(4,14-6-2)16-17-19-7-3/h19H,5-17H2,1-4H3
InChIKeyRJLKTTSXDYAYKB-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.93
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

N-ethyl-2-methyl-2-propylnonan-1-amine
CID 63509075
4-methyl-4-propylnonane
CID 54241684
N,3-diethyl-3-methylhexan-1-amine
CID 163633802
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220
5-butyl-5-methylpentadecane
CID 174700907
2-methyl-2-propyldodecan-1-amine
CID 55195079
2-methyl-2-propyldecan-1-ol
CID 66025468
ethane;4-ethyl-4-methylnonane
CID 164538733
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-propyldodecan-1-amine?
The IUPAC name of N-ethyl-3-methyl-3-propyldodecan-1-amine (CID 163931988) is N-ethyl-3-methyl-3-propyldodecan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-propyldodecan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-3-propyldodecan-1-amine is CCCCCCCCCC(C)(CCC)CCNCC.
What is the InChIKey of N-ethyl-3-methyl-3-propyldodecan-1-amine?
The InChIKey is RJLKTTSXDYAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-5-8-9-10-11-12-13-15-18(4,14-6-2)16-17-19-7-3/h19H,5-17H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-3-propyldodecan-1-amine?
N-ethyl-3-methyl-3-propyldodecan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.93, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-propyldodecan-1-amine is sourced from PubChem (CID 163931988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).