N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine

C17H25NO — CID 79329584

IUPACN-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
SMILESCCCOc1ccc(C=C(CC)CNC2CC2)cc1
InChIInChI=1S/C17H25NO/c1-3-11-19-17-9-5-15(6-10-17)12-14(4-2)13-18-16-7-8-16/h5-6,9-10,12,16,18H,3-4,7-8,11,13H2,1-2H3
InChIKeyHSCBRMRLNNUNMB-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.02
Rot. Bonds8

About N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine

N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine (PubChem CID 79329584) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
PubChem CID79329584
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
SMILESCCCOc1ccc(C=C(CC)CNC2CC2)cc1
InChIInChI=1S/C17H25NO/c1-3-11-19-17-9-5-15(6-10-17)12-14(4-2)13-18-16-7-8-16/h5-6,9-10,12,16,18H,3-4,7-8,11,13H2,1-2H3
InChIKeyHSCBRMRLNNUNMB-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79340630
N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79341149
N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
CID 79329058
N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766
1-[2-(chloromethyl)but-1-enyl]-4-pentoxybenzene
CID 79334916
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
CID 5123323
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925
4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine
CID 79330116
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine (CID 79329584) is N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine is CCCOc1ccc(C=C(CC)CNC2CC2)cc1.
What is the InChIKey of N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is HSCBRMRLNNUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-11-19-17-9-5-15(6-10-17)12-14(4-2)13-18-16-7-8-16/h5-6,9-10,12,16,18H,3-4,7-8,11,13H2,1-2H3.
What are the key properties of N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine?
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79329584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).