3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine

C16H26N2 — CID 115214425

IUPAC3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
SMILESCc1cccc(C(C)(C)CNCC2CC(N)C2)c1
InChIInChI=1S/C16H26N2/c1-12-5-4-6-14(7-12)16(2,3)11-18-10-13-8-15(17)9-13/h4-7,13,15,18H,8-11,17H2,1-3H3
InChIKeyDHJGXVFRIJASIP-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.60
Rot. Bonds5

About 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine

3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine (PubChem CID 115214425) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
PubChem CID115214425
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
SMILESCc1cccc(C(C)(C)CNCC2CC(N)C2)c1
InChIInChI=1S/C16H26N2/c1-12-5-4-6-14(7-12)16(2,3)11-18-10-13-8-15(17)9-13/h4-7,13,15,18H,8-11,17H2,1-3H3
InChIKeyDHJGXVFRIJASIP-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214407
3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214414
4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol
CID 115149642
ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
CID 11334178
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454
N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 119757001
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine (CID 115214425) is 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine is Cc1cccc(C(C)(C)CNCC2CC(N)C2)c1.
What is the InChIKey of 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine?
The InChIKey is DHJGXVFRIJASIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-4-6-14(7-12)16(2,3)11-18-10-13-8-15(17)9-13/h4-7,13,15,18H,8-11,17H2,1-3H3.
What are the key properties of 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine?
3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).