N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine

C20H29N — CID 65008561

IUPACN-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(C2(CNC3CC3)CC3(CC3)C2)cc1
InChIInChI=1S/C20H29N/c1-18(2,3)15-4-6-16(7-5-15)20(14-21-17-8-9-17)12-19(13-20)10-11-19/h4-7,17,21H,8-14H2,1-3H3
InChIKeyQUQDFFISDNJCHU-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.55
Rot. Bonds4

About N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine

N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine (PubChem CID 65008561) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
PubChem CID65008561
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(C2(CNC3CC3)CC3(CC3)C2)cc1
InChIInChI=1S/C20H29N/c1-18(2,3)15-4-6-16(7-5-15)20(14-21-17-8-9-17)12-19(13-20)10-11-19/h4-7,17,21H,8-14H2,1-3H3
InChIKeyQUQDFFISDNJCHU-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009606
N-[[2-(4-bromophenyl)-7-oxaspiro[3.5]nonan-2-yl]methyl]cyclopropanamine
CID 65006458
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 64997710
N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009127
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 65008178
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine
CID 65014569
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine (CID 65008561) is N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine is CC(C)(C)c1ccc(C2(CNC3CC3)CC3(CC3)C2)cc1.
What is the InChIKey of N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The InChIKey is QUQDFFISDNJCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-18(2,3)15-4-6-16(7-5-15)20(14-21-17-8-9-17)12-19(13-20)10-11-19/h4-7,17,21H,8-14H2,1-3H3.
What are the key properties of N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine has a molecular weight of 283.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65008561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).