N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine

C13H21N3 — CID 102880556

IUPACN'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
SMILESCc1cncc(CN(CCCN)C2CC2)c1
InChIInChI=1S/C13H21N3/c1-11-7-12(9-15-8-11)10-16(6-2-5-14)13-3-4-13/h7-9,13H,2-6,10,14H2,1H3
InChIKeyOOWDUKAPBHDYJL-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.70
Rot. Bonds6

About N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine

N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 102880556) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
PubChem CID102880556
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
SMILESCc1cncc(CN(CCCN)C2CC2)c1
InChIInChI=1S/C13H21N3/c1-11-7-12(9-15-8-11)10-16(6-2-5-14)13-3-4-13/h7-9,13H,2-6,10,14H2,1H3
InChIKeyOOWDUKAPBHDYJL-UHFFFAOYSA-N
XLogP1.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine (CID 102880556) is N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine is Cc1cncc(CN(CCCN)C2CC2)c1.
What is the InChIKey of N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is OOWDUKAPBHDYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-7-12(9-15-8-11)10-16(6-2-5-14)13-3-4-13/h7-9,13H,2-6,10,14H2,1H3.
What are the key properties of N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine?
N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 102880556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).