N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

C14H23N3 — CID 62433595

IUPACN-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-12(8-16-14-5-6-14)10-17(2)11-13-4-3-7-15-9-13/h3-4,7,9,12,14,16H,5-6,8,10-11H2,1-2H3
InChIKeyTYJAUNYNLOBXPT-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.90
Rot. Bonds7

About N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 62433595) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID62433595
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-12(8-16-14-5-6-14)10-17(2)11-13-4-3-7-15-9-13/h3-4,7,9,12,14,16H,5-6,8,10-11H2,1-2H3
InChIKeyTYJAUNYNLOBXPT-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine
CID 104737358
N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62420056
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
N-[2-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 55136198

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 62433595) is N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is CC(CNC1CC1)CN(C)Cc1cccnc1.
What is the InChIKey of N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is TYJAUNYNLOBXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(8-16-14-5-6-14)10-17(2)11-13-4-3-7-15-9-13/h3-4,7,9,12,14,16H,5-6,8,10-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62433595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).