1,2,5,8,11,14-hexazacyclohexadecane

C10H26N6 — CID 22250787

IUPAC1,2,5,8,11,14-hexazacyclohexadecane
SMILESC1CNCCNCCNNCCNCCN1
InChIInChI=1S/C10H26N6/c1-2-12-4-6-14-8-10-16-15-9-7-13-5-3-11-1/h11-16H,1-10H2
InChIKeyILVHAJZZPNSUHA-UHFFFAOYSA-N
MW230.36 g/mol
LogP-2.55
Rot. Bonds

About 1,2,5,8,11,14-hexazacyclohexadecane

1,2,5,8,11,14-hexazacyclohexadecane (PubChem CID 22250787) has the molecular formula C10H26N6 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1,2,5,8,11,14-hexazacyclohexadecane.

Molecular Properties

Compound Name1,2,5,8,11,14-hexazacyclohexadecane
PubChem CID22250787
Molecular FormulaC10H26N6
Molecular Weight230.36 g/mol
Exact Mass230.22
IUPAC Name1,2,5,8,11,14-hexazacyclohexadecane
SMILESC1CNCCNCCNNCCNCCN1
InChIInChI=1S/C10H26N6/c1-2-12-4-6-14-8-10-16-15-9-7-13-5-3-11-1/h11-16H,1-10H2
InChIKeyILVHAJZZPNSUHA-UHFFFAOYSA-N
XLogP-2.55
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.36
LogP ≤ 5-2.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1,2,5,8,11,14-hexazacyclohexadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanamine, N,N-diethyl-2-hydrazino-
CID 3028735
1,4,7,10-Tetraazacyclodecane
CID 14549064
1,4,7,10-Tetrazacyclododecan-1-amine
CID 53828186
1,4,8,12-Tetraazacyclododecane
CID 129691262
N,N-bis(2-hydrazinoethyl)methylamine
CID 12139738
N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine
CID 91561059
1,2,5,8,9,12-Hexaazacyclotetradecene
CID 129792195
4-Aza-Spermin
CID 129890778
N'-[2-[2-(2-aminoethyl)hydrazinyl]ethyl]ethane-1,2-diamine
CID 13668929
N-ethyl-2-hydrazinylethanamine
CID 15120195
[2-(2-Aminoethylamino)ethyl-(cyanoamino)amino]cyanamide
CID 17838855
N'-[2-(2,2-dimethylhydrazinyl)ethyl]ethane-1,2-diamine
CID 17912034

Frequently Asked Questions

What is the IUPAC name of 1,2,5,8,11,14-hexazacyclohexadecane?
The IUPAC name of 1,2,5,8,11,14-hexazacyclohexadecane (CID 22250787) is 1,2,5,8,11,14-hexazacyclohexadecane.
What is the SMILES notation for 1,2,5,8,11,14-hexazacyclohexadecane?
The canonical SMILES for 1,2,5,8,11,14-hexazacyclohexadecane is C1CNCCNCCNNCCNCCN1.
What is the InChIKey of 1,2,5,8,11,14-hexazacyclohexadecane?
The InChIKey is ILVHAJZZPNSUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N6/c1-2-12-4-6-14-8-10-16-15-9-7-13-5-3-11-1/h11-16H,1-10H2.
What are the key properties of 1,2,5,8,11,14-hexazacyclohexadecane?
1,2,5,8,11,14-hexazacyclohexadecane has a molecular weight of 230.36 g/mol, XLogP of -2.55, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,8,11,14-hexazacyclohexadecane is sourced from PubChem (CID 22250787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).