N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine

C18H27NO — CID 79339556

IUPACN-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
SMILESCC(C)Oc1cccc(C=C(CNC2CC2)C(C)C)c1
InChIInChI=1S/C18H27NO/c1-13(2)16(12-19-17-8-9-17)10-15-6-5-7-18(11-15)20-14(3)4/h5-7,10-11,13-14,17,19H,8-9,12H2,1-4H3
InChIKeyMMNURMHIMSUXLE-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.27
Rot. Bonds7

About N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine

N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine (PubChem CID 79339556) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
PubChem CID79339556
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
SMILESCC(C)Oc1cccc(C=C(CNC2CC2)C(C)C)c1
InChIInChI=1S/C18H27NO/c1-13(2)16(12-19-17-8-9-17)10-15-6-5-7-18(11-15)20-14(3)4/h5-7,10-11,13-14,17,19H,8-9,12H2,1-4H3
InChIKeyMMNURMHIMSUXLE-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338744
N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339736
N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
CID 79339196
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
1-[2-(bromomethyl)but-1-enyl]-3-propan-2-yloxybenzene
CID 79323289
N-[3-(3-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019891
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79339946
methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
CID 79339106
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
(E)-N-methyl-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103092042

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine (CID 79339556) is N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine is CC(C)Oc1cccc(C=C(CNC2CC2)C(C)C)c1.
What is the InChIKey of N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is MMNURMHIMSUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)16(12-19-17-8-9-17)10-15-6-5-7-18(11-15)20-14(3)4/h5-7,10-11,13-14,17,19H,8-9,12H2,1-4H3.
What are the key properties of N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine?
N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79339556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).