N-tert-butyl-3-ethyldodecan-3-amine

C18H39N — CID 151770171

IUPACN-tert-butyl-3-ethyldodecan-3-amine
SMILESCCCCCCCCCC(CC)(CC)NC(C)(C)C
InChIInChI=1S/C18H39N/c1-7-10-11-12-13-14-15-16-18(8-2,9-3)19-17(4,5)6/h19H,7-16H2,1-6H3
InChIKeyRSKKKCMEYIQKEG-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.07
Rot. Bonds11

About N-tert-butyl-3-ethyldodecan-3-amine

N-tert-butyl-3-ethyldodecan-3-amine (PubChem CID 151770171) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-tert-butyl-3-ethyldodecan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-3-ethyldodecan-3-amine
PubChem CID151770171
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-tert-butyl-3-ethyldodecan-3-amine
SMILESCCCCCCCCCC(CC)(CC)NC(C)(C)C
InChIInChI=1S/C18H39N/c1-7-10-11-12-13-14-15-16-18(8-2,9-3)19-17(4,5)6/h19H,7-16H2,1-6H3
InChIKeyRSKKKCMEYIQKEG-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.07
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-chloro-9-octylheptadecan-9-amine
CID 54006457
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyltetradecane
CID 54159558
3,3-dimethylpentadecane
CID 86034940
7-methylhexadecan-7-ylsilane
CID 173411878
3-ethyl-3-methyldodecane
CID 56619966
3,3-dimethyldodecane
CID 15930786
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylundecane
CID 57491570

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethyldodecan-3-amine?
The IUPAC name of N-tert-butyl-3-ethyldodecan-3-amine (CID 151770171) is N-tert-butyl-3-ethyldodecan-3-amine.
What is the SMILES notation for N-tert-butyl-3-ethyldodecan-3-amine?
The canonical SMILES for N-tert-butyl-3-ethyldodecan-3-amine is CCCCCCCCCC(CC)(CC)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-ethyldodecan-3-amine?
The InChIKey is RSKKKCMEYIQKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-7-10-11-12-13-14-15-16-18(8-2,9-3)19-17(4,5)6/h19H,7-16H2,1-6H3.
What are the key properties of N-tert-butyl-3-ethyldodecan-3-amine?
N-tert-butyl-3-ethyldodecan-3-amine has a molecular weight of 269.52 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethyldodecan-3-amine is sourced from PubChem (CID 151770171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).