[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine

C9H23N5 — CID 129386497

IUPAC[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
SMILESNC[C@H]1CNCCNCCNCCN1
InChIInChI=1S/C9H23N5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9,11-14H,1-8,10H2/t9-/m0/s1
InChIKeyHWVOBYJTJPXGSF-VIFPVBQESA-N
MW201.32 g/mol
LogP-2.31
Rot. Bonds1

About [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine

[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine (PubChem CID 129386497) has the molecular formula C9H23N5 and a molecular weight of 201.32 g/mol. Its IUPAC name is [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
PubChem CID129386497
Molecular FormulaC9H23N5
Molecular Weight201.32 g/mol
Exact Mass201.20
IUPAC Name[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
SMILESNC[C@H]1CNCCNCCNCCN1
InChIInChI=1S/C9H23N5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9,11-14H,1-8,10H2/t9-/m0/s1
InChIKeyHWVOBYJTJPXGSF-VIFPVBQESA-N
XLogP-2.31
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine 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

Norspermine
CID 78350
N,N'-bis(3-aminopropyl)ethylenediamine
CID 25378
N,N'-Bis(2-aminoethyl)-1,3-propanediamine
CID 78479
1,4,8,11-Tetraazacyclotetradecane
CID 64964
Caldopentamine
CID 83290
N,N'-Diisopropylethylenediamine
CID 77628
N,N'-Diisopropyl-1,3-propanediamine
CID 144018
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
(2S)-2-[(2S)-1,4,8,11-tetrazacyclotetradec-2-yl]-1,4,8,11-tetrazacyclotetradecane
CID 453868
1,4,8,12-Tetraazacyclopentadecane
CID 472687
N-(2-aminopropyl)propane-1,2-diamine
CID 96199
Diethylenetriamine, 1,7-bis(2'-propyl)-
CID 23423558

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine?
The IUPAC name of [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine (CID 129386497) is [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine.
What is the SMILES notation for [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine?
The canonical SMILES for [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine is NC[C@H]1CNCCNCCNCCN1.
What is the InChIKey of [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine?
The InChIKey is HWVOBYJTJPXGSF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H23N5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9,11-14H,1-8,10H2/t9-/m0/s1.
What are the key properties of [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine?
[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine has a molecular weight of 201.32 g/mol, XLogP of -2.31, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine is sourced from PubChem (CID 129386497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).