1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine

C8H21N3 — CID 58512733

IUPAC1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine
SMILESCCCN(C)CCC(N)NC
InChIInChI=1S/C8H21N3/c1-4-6-11(3)7-5-8(9)10-2/h8,10H,4-7,9H2,1-3H3
InChIKeyCRYGWACBBSUPNI-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.22
Rot. Bonds6

About 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine

1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine (PubChem CID 58512733) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine.

Molecular Properties

Compound Name1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine
PubChem CID58512733
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine
SMILESCCCN(C)CCC(N)NC
InChIInChI=1S/C8H21N3/c1-4-6-11(3)7-5-8(9)10-2/h8,10H,4-7,9H2,1-3H3
InChIKeyCRYGWACBBSUPNI-UHFFFAOYSA-N
XLogP0.22
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
CID 62624784
2-(ethylamino)-4-[methyl(propyl)amino]butan-1-ol
CID 64798712
4-[methyl(propyl)amino]butane-1,2-diol
CID 87171771
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine?
The IUPAC name of 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine (CID 58512733) is 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine.
What is the SMILES notation for 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine?
The canonical SMILES for 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine is CCCN(C)CCC(N)NC.
What is the InChIKey of 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine?
The InChIKey is CRYGWACBBSUPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-4-6-11(3)7-5-8(9)10-2/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine?
1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine has a molecular weight of 159.28 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N-dimethyl-3-N-propylpropane-1,1,3-triamine is sourced from PubChem (CID 58512733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).