2-(2-aminocycloocten-1-yl)cycloocten-1-amine

C16H28N2 — CID 151733576

IUPAC2-(2-aminocycloocten-1-yl)cycloocten-1-amine
SMILESNC1=C(C2=C(N)CCCCCC2)CCCCCC1
InChIInChI=1S/C16H28N2/c17-15-11-7-3-1-5-9-13(15)14-10-6-2-4-8-12-16(14)18/h1-12,17-18H2
InChIKeyRLBJNWQURQZODU-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.12
Rot. Bonds1

About 2-(2-aminocycloocten-1-yl)cycloocten-1-amine

2-(2-aminocycloocten-1-yl)cycloocten-1-amine (PubChem CID 151733576) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-(2-aminocycloocten-1-yl)cycloocten-1-amine.

Molecular Properties

Compound Name2-(2-aminocycloocten-1-yl)cycloocten-1-amine
PubChem CID151733576
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-(2-aminocycloocten-1-yl)cycloocten-1-amine
SMILESNC1=C(C2=C(N)CCCCCC2)CCCCCC1
InChIInChI=1S/C16H28N2/c17-15-11-7-3-1-5-9-13(15)14-10-6-2-4-8-12-16(14)18/h1-12,17-18H2
InChIKeyRLBJNWQURQZODU-UHFFFAOYSA-N
XLogP4.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1Z)-cyclodecene-1,2-diamine
CID 89062858
pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene
CID 15164275
(1Z)-2-hydrazinylcycloocten-1-amine
CID 155747316
(1Z)-2-[amino(methyl)amino]cycloocten-1-amine;ethane
CID 163386087
2-methanimidoylcyclohepten-1-amine
CID 126605800
3-amino-5,6,7,8-tetrahydro-2H-thiochromene-4-carbonitrile
CID 143029404
1-butyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine
CID 134103531
3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine
CID 139365468
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
tricyclo[4.3.0.02,7]nona-1,6-diene
CID 149382388
3-iodo-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-amine
CID 153067657
5,6,7,8-tetrahydronaphthalene-1,2,3,4-tetramine
CID 163637874

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocycloocten-1-yl)cycloocten-1-amine?
The IUPAC name of 2-(2-aminocycloocten-1-yl)cycloocten-1-amine (CID 151733576) is 2-(2-aminocycloocten-1-yl)cycloocten-1-amine.
What is the SMILES notation for 2-(2-aminocycloocten-1-yl)cycloocten-1-amine?
The canonical SMILES for 2-(2-aminocycloocten-1-yl)cycloocten-1-amine is NC1=C(C2=C(N)CCCCCC2)CCCCCC1.
What is the InChIKey of 2-(2-aminocycloocten-1-yl)cycloocten-1-amine?
The InChIKey is RLBJNWQURQZODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c17-15-11-7-3-1-5-9-13(15)14-10-6-2-4-8-12-16(14)18/h1-12,17-18H2.
What are the key properties of 2-(2-aminocycloocten-1-yl)cycloocten-1-amine?
2-(2-aminocycloocten-1-yl)cycloocten-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocycloocten-1-yl)cycloocten-1-amine is sourced from PubChem (CID 151733576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).