3-cycloundecylidene-2-iminocycloundecan-1-amine

C22H40N2 — CID 91271732

IUPAC3-cycloundecylidene-2-iminocycloundecan-1-amine
SMILES[H]/N=C1/C(=C2CCCCCCCCCC2)CCCCCCCCC1N
InChIInChI=1S/C22H40N2/c23-21-18-14-10-6-5-9-13-17-20(22(21)24)19-15-11-7-3-1-2-4-8-12-16-19/h21,24H,1-18,23H2/b24-22-
InChIKeyFWCLAVOUEDRBKQ-GYHWCHFESA-N
MW332.58 g/mol
LogP6.68
Rot. Bonds

About 3-cycloundecylidene-2-iminocycloundecan-1-amine

3-cycloundecylidene-2-iminocycloundecan-1-amine (PubChem CID 91271732) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 3-cycloundecylidene-2-iminocycloundecan-1-amine.

Molecular Properties

Compound Name3-cycloundecylidene-2-iminocycloundecan-1-amine
PubChem CID91271732
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name3-cycloundecylidene-2-iminocycloundecan-1-amine
SMILES[H]/N=C1/C(=C2CCCCCCCCCC2)CCCCCCCCC1N
InChIInChI=1S/C22H40N2/c23-21-18-14-10-6-5-9-13-17-20(22(21)24)19-15-11-7-3-1-2-4-8-12-16-19/h21,24H,1-18,23H2/b24-22-
InChIKeyFWCLAVOUEDRBKQ-GYHWCHFESA-N
XLogP6.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.68
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

3,4-Diethyl-2-iminocyclooct-3-en-1-amine
CID 90798400
3,4-Diethyl-2-iminocyclohex-3-en-1-amine
CID 91108254
2-Imino-3,4-dimethylcyclooct-3-en-1-amine
CID 91118223
2-Imino-3,4-dimethylcyclohex-3-en-1-amine
CID 91179392
3,4-Diethyl-2-iminocyclopent-3-en-1-amine
CID 91549426
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
8-Imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine
CID 123996683
(4Z)-4-ethylidene-3-iminodecan-5-amine
CID 132036830
(1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine
CID 167030960
4-Ethanimidoyl-3-methylcyclohex-3-en-1-amine
CID 167030981
2-(2-Aminoethanimidoyl)cyclohexen-1-amine
CID 172348383

Frequently Asked Questions

What is the IUPAC name of 3-cycloundecylidene-2-iminocycloundecan-1-amine?
The IUPAC name of 3-cycloundecylidene-2-iminocycloundecan-1-amine (CID 91271732) is 3-cycloundecylidene-2-iminocycloundecan-1-amine.
What is the SMILES notation for 3-cycloundecylidene-2-iminocycloundecan-1-amine?
The canonical SMILES for 3-cycloundecylidene-2-iminocycloundecan-1-amine is [H]/N=C1/C(=C2CCCCCCCCCC2)CCCCCCCCC1N.
What is the InChIKey of 3-cycloundecylidene-2-iminocycloundecan-1-amine?
The InChIKey is FWCLAVOUEDRBKQ-GYHWCHFESA-N. The full InChI is InChI=1S/C22H40N2/c23-21-18-14-10-6-5-9-13-17-20(22(21)24)19-15-11-7-3-1-2-4-8-12-16-19/h21,24H,1-18,23H2/b24-22-.
What are the key properties of 3-cycloundecylidene-2-iminocycloundecan-1-amine?
3-cycloundecylidene-2-iminocycloundecan-1-amine has a molecular weight of 332.58 g/mol, XLogP of 6.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloundecylidene-2-iminocycloundecan-1-amine is sourced from PubChem (CID 91271732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).