N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine

C13H20N2O — CID 62292023

IUPACN-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1OCC1CC1
InChIInChI=1S/C13H20N2O/c1-2-7-14-9-12-4-3-8-15-13(12)16-10-11-5-6-11/h3-4,8,11,14H,2,5-7,9-10H2,1H3
InChIKeyIRHZHTPKZKWNMH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds7

About N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62292023) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62292023
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1OCC1CC1
InChIInChI=1S/C13H20N2O/c1-2-7-14-9-12-4-3-8-15-13(12)16-10-11-5-6-11/h3-4,8,11,14H,2,5-7,9-10H2,1H3
InChIKeyIRHZHTPKZKWNMH-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 106205338
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 62288582
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
[2-(cyclopentylmethoxy)-3-pyridinyl]methanol
CID 66323302
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62292023) is N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1OCC1CC1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is IRHZHTPKZKWNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-7-14-9-12-4-3-8-15-13(12)16-10-11-5-6-11/h3-4,8,11,14H,2,5-7,9-10H2,1H3.
What are the key properties of N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62292023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).