N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine

C19H24N2 — CID 63078815

IUPACN-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H24N2/c1-2-13-21-18(16-8-6-14-20-15-16)19(11-7-12-19)17-9-4-3-5-10-17/h3-6,8-10,14-15,18,21H,2,7,11-13H2,1H3
InChIKeyVTEMIJUOVWVQPB-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.24
Rot. Bonds6

About N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine

N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 63078815) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID63078815
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H24N2/c1-2-13-21-18(16-8-6-14-20-15-16)19(11-7-12-19)17-9-4-3-5-10-17/h3-6,8-10,14-15,18,21H,2,7,11-13H2,1H3
InChIKeyVTEMIJUOVWVQPB-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 65105153
N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 63963923
N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
CID 63079873
N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine
CID 63081349
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 103130823
N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine
CID 79062325
N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 115374513
2-methyl-2-phenyl-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 63084520
N-(2-ethoxy-2-phenyl-1-pyridin-3-ylethyl)propan-1-amine
CID 116773849
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
2,2-dimethyl-1-(1-phenylcyclopentyl)-N-propylpropan-1-amine
CID 63417982

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine (CID 63078815) is N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1cccnc1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is VTEMIJUOVWVQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-13-21-18(16-8-6-14-20-15-16)19(11-7-12-19)17-9-4-3-5-10-17/h3-6,8-10,14-15,18,21H,2,7,11-13H2,1H3.
What are the key properties of N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 63078815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).