N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine

C13H23N3 — CID 106915863

IUPACN,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1ncccc1C
InChIInChI=1S/C13H23N3/c1-11(8-14-3)9-16(4)10-13-12(2)6-5-7-15-13/h5-7,11,14H,8-10H2,1-4H3
InChIKeyBBQKLAUNZJCPHA-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.68
Rot. Bonds6

About N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine

N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 106915863) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
PubChem CID106915863
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1ncccc1C
InChIInChI=1S/C13H23N3/c1-11(8-14-3)9-16(4)10-13-12(2)6-5-7-15-13/h5-7,11,14H,8-10H2,1-4H3
InChIKeyBBQKLAUNZJCPHA-UHFFFAOYSA-N
XLogP1.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915935
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 112651407
2-[[methyl(2-methylpropyl)amino]methyl]pyridin-3-ol
CID 135308026
N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62412873
N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62411299
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
CID 112651436
3-methyl-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 81479287
N,5-dimethyl-1-(3-methyl-2-pyridinyl)hexan-2-amine
CID 66446876
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine (CID 106915863) is N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine is CNCC(C)CN(C)Cc1ncccc1C.
What is the InChIKey of N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is BBQKLAUNZJCPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(8-14-3)9-16(4)10-13-12(2)6-5-7-15-13/h5-7,11,14H,8-10H2,1-4H3.
What are the key properties of N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 106915863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).