N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine

C13H21N3O — CID 105063403

IUPACN'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1cnccc1CNCCCNC1CC1
InChIInChI=1S/C13H21N3O/c1-17-13-10-15-8-5-11(13)9-14-6-2-7-16-12-3-4-12/h5,8,10,12,14,16H,2-4,6-7,9H2,1H3
InChIKeyYOHPRAMRJBTMBP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.32
Rot. Bonds8

About N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine

N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 105063403) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine
PubChem CID105063403
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1cnccc1CNCCCNC1CC1
InChIInChI=1S/C13H21N3O/c1-17-13-10-15-8-5-11(13)9-14-6-2-7-16-12-3-4-12/h5,8,10,12,14,16H,2-4,6-7,9H2,1H3
InChIKeyYOHPRAMRJBTMBP-UHFFFAOYSA-N
XLogP1.32
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N-[(4-chloro-2-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405316
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075967
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
N-[[3-[2-(dimethylamino)-2-methylpropoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 105075823
N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 106703541
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075597
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine (CID 105063403) is N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine is COc1cnccc1CNCCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is YOHPRAMRJBTMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-13-10-15-8-5-11(13)9-14-6-2-7-16-12-3-4-12/h5,8,10,12,14,16H,2-4,6-7,9H2,1H3.
What are the key properties of N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine?
N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 105063403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).