8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine

C20H40N2 — CID 123996683

IUPAC8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine
SMILES[H]/N=C(/C(CCCCCCN)=C(C)CC(C)C)C(C)CC(C)C
InChIInChI=1S/C20H40N2/c1-15(2)13-17(5)19(11-9-7-8-10-12-21)20(22)18(6)14-16(3)4/h15-16,18,22H,7-14,21H2,1-6H3/b19-17?,22-20+
InChIKeyKRAWLKPFNYWDPW-WYYOTIKDSA-N
MW308.55 g/mol
LogP5.96
Rot. Bonds12

About 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine

8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine (PubChem CID 123996683) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine.

Molecular Properties

Compound Name8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine
PubChem CID123996683
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine
SMILES[H]/N=C(/C(CCCCCCN)=C(C)CC(C)C)C(C)CC(C)C
InChIInChI=1S/C20H40N2/c1-15(2)13-17(5)19(11-9-7-8-10-12-21)20(22)18(6)14-16(3)4/h15-16,18,22H,7-14,21H2,1-6H3/b19-17?,22-20+
InChIKeyKRAWLKPFNYWDPW-WYYOTIKDSA-N
XLogP5.96
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Imino-8-methyl-5-(2-methylpropylidene)nonan-1-amine
CID 53951183
3-Cycloundecylidene-2-iminocycloundecan-1-amine
CID 91271732
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
8-Imino-7,9-dimethyldec-9-en-2-amine
CID 91580309
7-Ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine
CID 123172137
8-Cyclopentyl-7-cyclopentylidene-8-iminooctan-1-amine
CID 123312933
6-Cyclopentyl-5-cyclopentylidene-6-iminohexan-1-amine
CID 123486286
8-Cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine
CID 123565693
5-Imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine
CID 123664372
6-Imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine
CID 123826399
13-Ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine
CID 123894035
6-Cyclohexyl-5-cyclohexylidene-6-iminohexan-1-amine
CID 124005809

Frequently Asked Questions

What is the IUPAC name of 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine?
The IUPAC name of 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine (CID 123996683) is 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine.
What is the SMILES notation for 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine?
The canonical SMILES for 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine is [H]/N=C(/C(CCCCCCN)=C(C)CC(C)C)C(C)CC(C)C.
What is the InChIKey of 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine?
The InChIKey is KRAWLKPFNYWDPW-WYYOTIKDSA-N. The full InChI is InChI=1S/C20H40N2/c1-15(2)13-17(5)19(11-9-7-8-10-12-21)20(22)18(6)14-16(3)4/h15-16,18,22H,7-14,21H2,1-6H3/b19-17?,22-20+.
What are the key properties of 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine?
8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 5.96, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine is sourced from PubChem (CID 123996683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).