1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine

C12H26N2 — CID 65267342

IUPAC1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
SMILESCN(CC1CC1)CC(C)(C)C(C)(C)N
InChIInChI=1S/C12H26N2/c1-11(2,12(3,4)13)9-14(5)8-10-6-7-10/h10H,6-9,13H2,1-5H3
InChIKeyOQJCFFJWAQAYIA-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds5

About 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine

1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine (PubChem CID 65267342) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
PubChem CID65267342
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
SMILESCN(CC1CC1)CC(C)(C)C(C)(C)N
InChIInChI=1S/C12H26N2/c1-11(2,12(3,4)13)9-14(5)8-10-6-7-10/h10H,6-9,13H2,1-5H3
InChIKeyOQJCFFJWAQAYIA-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2,2,3-tetramethyl-1-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 65267291
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 79533480
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 79318789
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 60892926
3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008220
1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79813469
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
1-N-cyclopentyl-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65266771
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
CID 138459636
1-amino-3-[cyclohexylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 64819127
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine (CID 65267342) is 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine is CN(CC1CC1)CC(C)(C)C(C)(C)N.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine?
The InChIKey is OQJCFFJWAQAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,12(3,4)13)9-14(5)8-10-6-7-10/h10H,6-9,13H2,1-5H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine?
1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine is sourced from PubChem (CID 65267342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).