N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine

C16H25N — CID 116544864

IUPACN-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)C2(C)CC2)c1
InChIInChI=1S/C16H25N/c1-4-7-13-8-6-9-14(12-13)15(17-5-2)16(3)10-11-16/h6,8-9,12,15,17H,4-5,7,10-11H2,1-3H3
InChIKeyHEAFVCALEZOGEO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.09
Rot. Bonds6

About N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine

N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 116544864) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID116544864
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)C2(C)CC2)c1
InChIInChI=1S/C16H25N/c1-4-7-13-8-6-9-14(12-13)15(17-5-2)16(3)10-11-16/h6,8-9,12,15,17H,4-5,7,10-11H2,1-3H3
InChIKeyHEAFVCALEZOGEO-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1-methylcyclopentyl)-(3-propylphenyl)methyl]hydrazine
CID 105340495
[(2-methyloxolan-2-yl)-(3-propylphenyl)methyl]hydrazine
CID 105250921
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
CID 116544913
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
1-(3-propylphenyl)ethanamine
CID 116543909
N-[(2,5-dibromothiophen-3-yl)-(3-propylphenyl)methyl]ethanamine
CID 107969254
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N,2-dimethyl-3-(3-propylphenyl)butan-1-amine
CID 116546425

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine (CID 116544864) is N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)C2(C)CC2)c1.
What is the InChIKey of N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is HEAFVCALEZOGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-7-13-8-6-9-14(12-13)15(17-5-2)16(3)10-11-16/h6,8-9,12,15,17H,4-5,7,10-11H2,1-3H3.
What are the key properties of N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine?
N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 116544864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).