3-(1,4,8-triazacycloundec-1-yl)propan-1-amine

C11H26N4 — CID 142128574

IUPAC3-(1,4,8-triazacycloundec-1-yl)propan-1-amine
SMILESNCCCN1CCCNCCCNCC1
InChIInChI=1S/C11H26N4/c12-4-1-9-15-10-3-7-13-5-2-6-14-8-11-15/h13-14H,1-12H2
InChIKeyDKDWMAORJOUOHC-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.39
Rot. Bonds3

About 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine

3-(1,4,8-triazacycloundec-1-yl)propan-1-amine (PubChem CID 142128574) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,4,8-triazacycloundec-1-yl)propan-1-amine
PubChem CID142128574
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name3-(1,4,8-triazacycloundec-1-yl)propan-1-amine
SMILESNCCCN1CCCNCCCNCC1
InChIInChI=1S/C11H26N4/c12-4-1-9-15-10-3-7-13-5-2-6-14-8-11-15/h13-14H,1-12H2
InChIKeyDKDWMAORJOUOHC-UHFFFAOYSA-N
XLogP-0.39
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine 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

4-(1,4-diazepan-1-yl)butan-1-amine
CID 64981149
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
N'-[4-(1,5,9-triazacyclododec-1-yl)butyl]butane-1,4-diamine
CID 166625566
5-piperazin-1-ylpentan-1-amine;hydrochloride
CID 86346240
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-(3-chloropropyl)-1,4-diazepane;dihydrochloride
CID 44784791
1-butyl-1,4-diazepane;ethane
CID 168976024
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
methane;2-piperazin-1-ylethanamine
CID 160655027
2-(1,4-diazepan-1-yl)ethanol
CID 2736550

Frequently Asked Questions

What is the IUPAC name of 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine?
The IUPAC name of 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine (CID 142128574) is 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine.
What is the SMILES notation for 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine?
The canonical SMILES for 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine is NCCCN1CCCNCCCNCC1.
What is the InChIKey of 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine?
The InChIKey is DKDWMAORJOUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c12-4-1-9-15-10-3-7-13-5-2-6-14-8-11-15/h13-14H,1-12H2.
What are the key properties of 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine?
3-(1,4,8-triazacycloundec-1-yl)propan-1-amine has a molecular weight of 214.36 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,8-triazacycloundec-1-yl)propan-1-amine is sourced from PubChem (CID 142128574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).