3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine

C14H33N5 — CID 3082621

IUPAC3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine
SMILESCN1CCCNCCNCCCN(CCCN)CC1
InChIInChI=1S/C14H33N5/c1-18-10-3-6-16-8-9-17-7-4-12-19(14-13-18)11-2-5-15/h16-17H,2-15H2,1H3
InChIKeyZBUNFVBLQCSLIF-UHFFFAOYSA-N
MW271.45 g/mol
LogP-0.46
Rot. Bonds3

About 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine

3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine (PubChem CID 3082621) has the molecular formula C14H33N5 and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine
PubChem CID3082621
Molecular FormulaC14H33N5
Molecular Weight271.45 g/mol
Exact Mass271.27
IUPAC Name3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine
SMILESCN1CCCNCCNCCCN(CCCN)CC1
InChIInChI=1S/C14H33N5/c1-18-10-3-6-16-8-9-17-7-4-12-19(14-13-18)11-2-5-15/h16-17H,2-15H2,1H3
InChIKeyZBUNFVBLQCSLIF-UHFFFAOYSA-N
XLogP-0.46
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis(3-aminopropyl)ethylenediamine
CID 25378
N1,N11-Diethylnorspermine
CID 4282
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N,N'-Bis(2-aminoethyl)-1,3-propanediamine
CID 78479
Dimethyldipropylenetriamine
CID 82728
1,4,8,11-Tetraazacyclotetradecane
CID 64964
N1,N12-bis(ethyl)spermine
CID 4283
N,N'-Dipropylethylenediamine
CID 469899
Bis(3-(methylamino)propyl)methylamine
CID 67161
N,N-Diethyl-N'-methyl-1,3-propanediamine
CID 79577
1,4,8,12-Tetraazacyclopentadecane
CID 472687
N'-(3-((3-aminopropyl)amino)propyl)-N,N-dimethylpropane-1,3-diamine
CID 88084

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine?
The IUPAC name of 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine (CID 3082621) is 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine is CN1CCCNCCNCCCN(CCCN)CC1.
What is the InChIKey of 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine?
The InChIKey is ZBUNFVBLQCSLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N5/c1-18-10-3-6-16-8-9-17-7-4-12-19(14-13-18)11-2-5-15/h16-17H,2-15H2,1H3.
What are the key properties of 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine?
3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine has a molecular weight of 271.45 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine is sourced from PubChem (CID 3082621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).