N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine

C13H25N5 — CID 57064348

IUPACN'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine
SMILESNCCCNCc1cccc(CNCCCN)n1
InChIInChI=1S/C13H25N5/c14-6-2-8-16-10-12-4-1-5-13(18-12)11-17-9-3-7-15/h1,4-5,16-17H,2-3,6-11,14-15H2
InChIKeyMLCOQALRIWTHPQ-UHFFFAOYSA-N
MW251.38 g/mol
LogP-0.04
Rot. Bonds10

About N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine

N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine (PubChem CID 57064348) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine
PubChem CID57064348
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine
SMILESNCCCNCc1cccc(CNCCCN)n1
InChIInChI=1S/C13H25N5/c14-6-2-8-16-10-12-4-1-5-13(18-12)11-17-9-3-7-15/h1,4-5,16-17H,2-3,6-11,14-15H2
InChIKeyMLCOQALRIWTHPQ-UHFFFAOYSA-N
XLogP-0.04
TPSA88.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 7937
CID 7937
CID 2366
CID 2366
CID 75919
CID 75919
CID 19509
CID 19509
CID 68643
CID 68643
CID 73759
CID 73759
CID 10195666
CID 10195666
CID 203875
CID 203875
CID 14287
CID 14287
CID 88757
CID 88757
CID 78027
CID 78027
CID 345764
CID 345764

Frequently Asked Questions

What is the IUPAC name of N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine (CID 57064348) is N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine is NCCCNCc1cccc(CNCCCN)n1.
What is the InChIKey of N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine?
The InChIKey is MLCOQALRIWTHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c14-6-2-8-16-10-12-4-1-5-13(18-12)11-17-9-3-7-15/h1,4-5,16-17H,2-3,6-11,14-15H2.
What are the key properties of N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine?
N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine has a molecular weight of 251.38 g/mol, XLogP of -0.04, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 57064348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).