N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine

C13H25N5 — CID 79359610

IUPACN,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine
SMILESCN(C)CCCN(C)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H25N5/c1-17(2)5-4-6-18(3)9-11-7-12-13(8-14-11)16-10-15-12/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyKMRGPSCXFLGFHD-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.31
Rot. Bonds6

About N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine (PubChem CID 79359610) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine
PubChem CID79359610
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine
SMILESCN(C)CCCN(C)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H25N5/c1-17(2)5-4-6-18(3)9-11-7-12-13(8-14-11)16-10-15-12/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyKMRGPSCXFLGFHD-UHFFFAOYSA-N
XLogP0.31
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine (CID 79359610) is N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine is CN(C)CCCN(C)CC1Cc2nc[nH]c2CN1.
What is the InChIKey of N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine?
The InChIKey is KMRGPSCXFLGFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-17(2)5-4-6-18(3)9-11-7-12-13(8-14-11)16-10-15-12/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine has a molecular weight of 251.38 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79359610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).