1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine

C12H26N2 — CID 115257108

IUPAC1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
SMILESCC(C)(C)C(C)(C)CNCC1(N)CC1
InChIInChI=1S/C12H26N2/c1-10(2,3)11(4,5)8-14-9-12(13)6-7-12/h14H,6-9,13H2,1-5H3
InChIKeyBAPKHRODQUAOJH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds4

About 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine

1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine (PubChem CID 115257108) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
PubChem CID115257108
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
SMILESCC(C)(C)C(C)(C)CNCC1(N)CC1
InChIInChI=1S/C12H26N2/c1-10(2,3)11(4,5)8-14-9-12(13)6-7-12/h14H,6-9,13H2,1-5H3
InChIKeyBAPKHRODQUAOJH-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,2,3,3-tetramethylbutan-1-amine
CID 115245990
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257163
N'-(2,2,3,3-tetramethylbutyl)methanediamine
CID 115226324
1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257165
1-[[(2-methyl-2-naphthalen-2-ylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257167
1-(methylaminomethyl)cyclopropan-1-amine
CID 65456803
1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine
CID 115257113
1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119
1-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclopropan-1-amine
CID 65458888
1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257137
2,2,3,3-tetramethylbutylhydrazine
CID 130727218
N-[(1-aminocyclopropyl)methyl]aniline
CID 65460018

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine (CID 115257108) is 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine is CC(C)(C)C(C)(C)CNCC1(N)CC1.
What is the InChIKey of 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine?
The InChIKey is BAPKHRODQUAOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2,3)11(4,5)8-14-9-12(13)6-7-12/h14H,6-9,13H2,1-5H3.
What are the key properties of 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine?
1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 115257108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).