1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine

C10H26N4 — CID 87177269

IUPAC1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine
SMILESCCC(NCCCN)(N(C)C)N(C)C
InChIInChI=1S/C10H26N4/c1-6-10(13(2)3,14(4)5)12-9-7-8-11/h12H,6-9,11H2,1-5H3
InChIKeyOCUBGCDKMYWRMW-UHFFFAOYSA-N
MW202.35 g/mol
LogP0.11
Rot. Bonds7

About 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine

1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine (PubChem CID 87177269) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine.

Molecular Properties

Compound Name1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine
PubChem CID87177269
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine
SMILESCCC(NCCCN)(N(C)C)N(C)C
InChIInChI=1S/C10H26N4/c1-6-10(13(2)3,14(4)5)12-9-7-8-11/h12H,6-9,11H2,1-5H3
InChIKeyOCUBGCDKMYWRMW-UHFFFAOYSA-N
XLogP0.11
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
3-(2,2-diethylhydrazinyl)propan-1-amine
CID 55290275
N-(3-aminopropylamino)-N-methylthiohydroxylamine
CID 170190484
3-(3-aminopropylamino)-3-heptadecylpentane-1,5-diol;dihydrofluoride
CID 161266865
3,3-diethylhexane-1,6-diamine
CID 89464851
1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine
CID 118624734
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
18,18-diethylicosan-1-amine
CID 87504312
3-N'-(2-aminoethyl)pentane-3,3-diamine
CID 174433772
azane;2,2-dimethylbutane;propane-1,3-diamine
CID 173127451
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane
CID 144892245

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine?
The IUPAC name of 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine (CID 87177269) is 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine.
What is the SMILES notation for 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine?
The canonical SMILES for 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine is CCC(NCCCN)(N(C)C)N(C)C.
What is the InChIKey of 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine?
The InChIKey is OCUBGCDKMYWRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-6-10(13(2)3,14(4)5)12-9-7-8-11/h12H,6-9,11H2,1-5H3.
What are the key properties of 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine?
1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine has a molecular weight of 202.35 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine is sourced from PubChem (CID 87177269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).