N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine

C16H26N2O — CID 62529169

IUPACN-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H26N2O/c1-5-13(10-17-14-6-7-14)8-15-12(3)16(19-4)11(2)9-18-15/h9,13-14,17H,5-8,10H2,1-4H3
InChIKeyNKKDPNXMEDMUBF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.03
Rot. Bonds7

About N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine

N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine (PubChem CID 62529169) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine
PubChem CID62529169
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H26N2O/c1-5-13(10-17-14-6-7-14)8-15-12(3)16(19-4)11(2)9-18-15/h9,13-14,17H,5-8,10H2,1-4H3
InChIKeyNKKDPNXMEDMUBF-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902
1-cyclopentyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601412
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
N-[[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026993
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 115844027
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641130
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(3-ethylcyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65401934

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine (CID 62529169) is N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine is CCC(CNC1CC1)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine?
The InChIKey is NKKDPNXMEDMUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(10-17-14-6-7-14)8-15-12(3)16(19-4)11(2)9-18-15/h9,13-14,17H,5-8,10H2,1-4H3.
What are the key properties of N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine?
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 62529169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).