N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

C19H31N — CID 105018792

IUPACN-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C19H31N/c1-7-12-20-16(17-18(3,4)19(17,5)6)15-11-9-10-14(8-2)13-15/h9-11,13,16-17,20H,7-8,12H2,1-6H3
InChIKeyAZQLZTMCSUDXNT-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.97
Rot. Bonds6

About N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (PubChem CID 105018792) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
PubChem CID105018792
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C19H31N/c1-7-12-20-16(17-18(3,4)19(17,5)6)15-11-9-10-14(8-2)13-15/h9-11,13,16-17,20H,7-8,12H2,1-6H3
InChIKeyAZQLZTMCSUDXNT-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105171150
N-[(3-bromo-4-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79747033
N-[(3-bromo-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477448
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527
N-[[3-(2-methylpropyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105188104
N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018504
N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475348
N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559669
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (CID 105018792) is N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cccc(CC)c1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is AZQLZTMCSUDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-7-12-20-16(17-18(3,4)19(17,5)6)15-11-9-10-14(8-2)13-15/h9-11,13,16-17,20H,7-8,12H2,1-6H3.
What are the key properties of N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 105018792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).