1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine

C17H28N2 — CID 115257113

IUPAC1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine
SMILESCC(C)c1ccc(C(C)(C)CNCC2(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-13(2)14-5-7-15(8-6-14)16(3,4)11-19-12-17(18)9-10-17/h5-8,13,19H,9-12,18H2,1-4H3
InChIKeyGUVUPHFSEVNAMI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.17
Rot. Bonds6

About 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine

1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine (PubChem CID 115257113) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine
PubChem CID115257113
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine
SMILESCC(C)c1ccc(C(C)(C)CNCC2(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-13(2)14-5-7-15(8-6-14)16(3,4)11-19-12-17(18)9-10-17/h5-8,13,19H,9-12,18H2,1-4H3
InChIKeyGUVUPHFSEVNAMI-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119
1-[[(2-methyl-2-naphthalen-2-ylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257167
3-[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]propane-1-thiol
CID 115225311
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256942
[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
CID 115168740
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
CID 115244439
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257165
N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257137
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
CID 115257108

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine (CID 115257113) is 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine is CC(C)c1ccc(C(C)(C)CNCC2(N)CC2)cc1.
What is the InChIKey of 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine?
The InChIKey is GUVUPHFSEVNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)14-5-7-15(8-6-14)16(3,4)11-19-12-17(18)9-10-17/h5-8,13,19H,9-12,18H2,1-4H3.
What are the key properties of 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine?
1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115257113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).