(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

C16H26N2 — CID 116943497

IUPAC(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(N)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H26N2/c1-15(2,3)13-7-5-12(6-8-13)14(17)16(9-10-16)11-18-4/h5-8,14,18H,9-11,17H2,1-4H3
InChIKeyLUGVLDHBCQIVKG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.98
Rot. Bonds4

About (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116943497) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116943497
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(N)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H26N2/c1-15(2,3)13-7-5-12(6-8-13)14(17)16(9-10-16)11-18-4/h5-8,14,18H,9-11,17H2,1-4H3
InChIKeyLUGVLDHBCQIVKG-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanamine
CID 116943537
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
1,3-benzodioxol-5-yl-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943952
(5-bromothiophen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943526
methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate
CID 116944350
(5-chlorothiophen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943525
(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943597
3-[amino-(4-tert-butylphenyl)methyl]oxetane-3-carbonitrile
CID 116944442
[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine
CID 116943957
1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034899
1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958521
1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244691

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116943497) is (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is CNCC1(C(N)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is LUGVLDHBCQIVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(2,3)13-7-5-12(6-8-13)14(17)16(9-10-16)11-18-4/h5-8,14,18H,9-11,17H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116943497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).