1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine

C10H26N4 — CID 57022854

IUPAC1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine
SMILESCN(C)CCCNC(N)CCN(C)C
InChIInChI=1S/C10H26N4/c1-13(2)8-5-7-12-10(11)6-9-14(3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyBIKJLRFFJLIMSP-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.24
Rot. Bonds8

About 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine

1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine (PubChem CID 57022854) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine.

Molecular Properties

Compound Name1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine
PubChem CID57022854
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine
SMILESCN(C)CCCNC(N)CCN(C)C
InChIInChI=1S/C10H26N4/c1-13(2)8-5-7-12-10(11)6-9-14(3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyBIKJLRFFJLIMSP-UHFFFAOYSA-N
XLogP-0.24
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.24
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

N-(1-amino-2,2,2-trichloroethyl)-N',N'-dimethylpropane-1,3-diamine
CID 44790154
6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine
CID 87932680
1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine
CID 57019902
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
3-N-(3-aminopropyl)-5-N,5-N-dimethylpentane-1,3,5-triamine
CID 156769993
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 114525279
N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine
CID 115705393
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
1-[3-(dimethylamino)propylamino]-2-methylprop-2-en-1-ol
CID 126624474
N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine
CID 126690242
N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
CID 43086025

Frequently Asked Questions

What is the IUPAC name of 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine?
The IUPAC name of 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine (CID 57022854) is 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine.
What is the SMILES notation for 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine?
The canonical SMILES for 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine is CN(C)CCCNC(N)CCN(C)C.
What is the InChIKey of 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine?
The InChIKey is BIKJLRFFJLIMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-13(2)8-5-7-12-10(11)6-9-14(3)4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine?
1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine has a molecular weight of 202.35 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine is sourced from PubChem (CID 57022854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).