N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C17H25N — CID 79983868

IUPACN-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cccc(C3CC3)c2)C1(C)C
InChIInChI=1S/C17H25N/c1-16(2)15(17(16,3)4)18-11-12-6-5-7-14(10-12)13-8-9-13/h5-7,10,13,15,18H,8-9,11H2,1-4H3
InChIKeyPSZSBEDKJKJURB-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.09
Rot. Bonds4

About N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79983868) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79983868
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cccc(C3CC3)c2)C1(C)C
InChIInChI=1S/C17H25N/c1-16(2)15(17(16,3)4)18-11-12-6-5-7-14(10-12)13-8-9-13/h5-7,10,13,15,18H,8-9,11H2,1-4H3
InChIKeyPSZSBEDKJKJURB-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849884
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 79359174
2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
CID 79353261
(3-cyclopropylphenyl)methanethiol
CID 79977406
N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 79970039
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967
(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen
CID 156722104

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79983868) is N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CC1(C)C(NCc2cccc(C3CC3)c2)C1(C)C.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is PSZSBEDKJKJURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-16(2)15(17(16,3)4)18-11-12-6-5-7-14(10-12)13-8-9-13/h5-7,10,13,15,18H,8-9,11H2,1-4H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79983868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).