8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine

C17H36N2 — CID 54293067

IUPAC8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine
SMILES[H]/N=C(\CC(CC)CCCC)C(C)(C)CC(C)CCN
InChIInChI=1S/C17H36N2/c1-6-8-9-15(7-2)12-16(19)17(4,5)13-14(3)10-11-18/h14-15,19H,6-13,18H2,1-5H3/b19-16+
InChIKeyRYWKJTWKEBUNIU-KNTRCKAVSA-N
MW268.49 g/mol
LogP5.01
Rot. Bonds11

About 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine

8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine (PubChem CID 54293067) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine.

Molecular Properties

Compound Name8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine
PubChem CID54293067
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine
SMILES[H]/N=C(\CC(CC)CCCC)C(C)(C)CC(C)CCN
InChIInChI=1S/C17H36N2/c1-6-8-9-15(7-2)12-16(19)17(4,5)13-14(3)10-11-18/h14-15,19H,6-13,18H2,1-5H3/b19-16+
InChIKeyRYWKJTWKEBUNIU-KNTRCKAVSA-N
XLogP5.01
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.49
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Octane, 1-amino-7-hydroxyimino-6,6-dimethyl-
CID 171384400
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2,12-Dimethyl-2-propylpentadecane-1,11-diamine
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3-Ethanimidoylheptan-1-amine
CID 58733709
8-Diazo-4,4,9,9-tetramethyldodecane-2,5-diamine
CID 87452194
4,4,8,12,16,16-Hexamethylnonadecane-2,18-diamine
CID 88582342
2-Propylheptan-1-amine;2,4,4-trimethylpentan-2-amine
CID 89761585
2-Dodecyl-3,4,5-triiminocyclopentan-1-amine
CID 91186532
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CID 91215496

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine?
The IUPAC name of 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine (CID 54293067) is 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine.
What is the SMILES notation for 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine?
The canonical SMILES for 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine is [H]/N=C(\CC(CC)CCCC)C(C)(C)CC(C)CCN.
What is the InChIKey of 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine?
The InChIKey is RYWKJTWKEBUNIU-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-8-9-15(7-2)12-16(19)17(4,5)13-14(3)10-11-18/h14-15,19H,6-13,18H2,1-5H3/b19-16+.
What are the key properties of 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine?
8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 5.01, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-imino-3,5,5-trimethyldodecan-1-amine is sourced from PubChem (CID 54293067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).