(8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine

C20H40N2 — CID 143377856

IUPAC(8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine
SMILES[H]/N=C/CCC(=C)CCNC(CCC)CCC[C@H](C)CCCC
InChIInChI=1S/C20H40N2/c1-5-7-11-18(3)12-8-14-20(10-6-2)22-17-15-19(4)13-9-16-21/h16,18,20-22H,4-15,17H2,1-3H3/b21-16+/t18-,20?/m1/s1
InChIKeyXNVMNXLLJGNOSU-CZIMWQFISA-N
MW308.55 g/mol
LogP6.12
Rot. Bonds16

About (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine

(8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine (PubChem CID 143377856) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine.

Molecular Properties

Compound Name(8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine
PubChem CID143377856
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name(8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine
SMILES[H]/N=C/CCC(=C)CCNC(CCC)CCC[C@H](C)CCCC
InChIInChI=1S/C20H40N2/c1-5-7-11-18(3)12-8-14-20(10-6-2)22-17-15-19(4)13-9-16-21/h16,18,20-22H,4-15,17H2,1-3H3/b21-16+/t18-,20?/m1/s1
InChIKeyXNVMNXLLJGNOSU-CZIMWQFISA-N
XLogP6.12
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
CID 90878934
5-methyl-N-(3-methylbut-3-enyl)-3-propylnonan-2-amine
CID 91176080
N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine
CID 91412452
5-N-ethyl-5-[[3-(ethylamino)propylideneamino]methyl]-1-N,10-N-dimethyl-3-methylidenedecane-1,5,10-triamine
CID 123160559
2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine
CID 123365299
2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
CID 123367181
[7-(1-Aminoethyl)-2,8,10-trimethyl-5-(3-methylbutyl)undec-10-enylidene]-ethenylideneazanium
CID 123466464
6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine
CID 123469783
5-ethyl-N-(5-methylhex-5-en-2-yl)decan-3-amine
CID 123477008
4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine
CID 123638445
3-prop-1-en-2-yl-N-propyldecan-2-amine
CID 123855239
2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine
CID 129200403

Frequently Asked Questions

What is the IUPAC name of (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine?
The IUPAC name of (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine (CID 143377856) is (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine.
What is the SMILES notation for (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine?
The canonical SMILES for (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine is [H]/N=C/CCC(=C)CCNC(CCC)CCC[C@H](C)CCCC.
What is the InChIKey of (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine?
The InChIKey is XNVMNXLLJGNOSU-CZIMWQFISA-N. The full InChI is InChI=1S/C20H40N2/c1-5-7-11-18(3)12-8-14-20(10-6-2)22-17-15-19(4)13-9-16-21/h16,18,20-22H,4-15,17H2,1-3H3/b21-16+/t18-,20?/m1/s1.
What are the key properties of (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine?
(8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine has a molecular weight of 308.55 g/mol, XLogP of 6.12, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-(6-imino-3-methylidenehexyl)-8-methyldodecan-4-amine is sourced from PubChem (CID 143377856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).