3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine

C22H40N2 — CID 91393172

IUPAC3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine
SMILES[H]/N=C1\C(N)CCCCCCCCC1C1=CCCCCCCCCC1
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/h15,20-21,24H,1-14,16-18,23H2/b19-15?,24-22-
InChIKeyJXSMUXGDJRPFGS-REVUAPRYSA-N
MW332.58 g/mol
LogP6.53
Rot. Bonds1

About 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine

3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine (PubChem CID 91393172) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine.

Molecular Properties

Compound Name3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine
PubChem CID91393172
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine
SMILES[H]/N=C1\C(N)CCCCCCCCC1C1=CCCCCCCCCC1
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/h15,20-21,24H,1-14,16-18,23H2/b19-15?,24-22-
InChIKeyJXSMUXGDJRPFGS-REVUAPRYSA-N
XLogP6.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.53
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

6-Imino-8-methyl-5-(2-methylpropylidene)nonan-1-amine
CID 53951183
9-Dodecanimidoyl-10-imino-9-nonylpentacos-6-en-1-amine
CID 57047580
2-Pentyltrideca-4,8-diene-1,11-diamine
CID 57223971
3-Cyclohexa-1,5-dien-1-yl-1-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-3-iminopropan-1-amine
CID 88580795
(9Z)-3-ethyl-4-imino-9-[3-(4-oct-1-en-3-yl-2,3-dihydronaphthalen-1-yl)propyl]dodeca-9,11-dien-1-amine
CID 88933574
3-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]-3-iminopropan-1-amine
CID 89546309
4-Ethyl-3,6,7,8,10-pentamethyldodeca-2,8-dien-5-amine
CID 91223281
8-Imino-7,9-dimethyldec-9-en-2-amine
CID 91580309
(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine
CID 122664605
5-(6-Imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine
CID 123137693
7-Ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine
CID 123172137
2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
CID 123367181

Frequently Asked Questions

What is the IUPAC name of 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine?
The IUPAC name of 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine (CID 91393172) is 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine.
What is the SMILES notation for 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine?
The canonical SMILES for 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine is [H]/N=C1\C(N)CCCCCCCCC1C1=CCCCCCCCCC1.
What is the InChIKey of 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine?
The InChIKey is JXSMUXGDJRPFGS-REVUAPRYSA-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/h15,20-21,24H,1-14,16-18,23H2/b19-15?,24-22-.
What are the key properties of 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine?
3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine has a molecular weight of 332.58 g/mol, XLogP of 6.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloundecen-1-yl)-2-iminocycloundecan-1-amine is sourced from PubChem (CID 91393172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).