(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine

C10H24N2 — CID 103934582

IUPAC(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
SMILESCC(N(C)C[C@H](C)N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(11)7-12(6)9(2)10(3,4)5/h8-9H,7,11H2,1-6H3/t8-,9?/m0/s1
InChIKeyOMXBCUUVEDVJGV-IENPIDJESA-N
MW172.32 g/mol
LogP1.70
Rot. Bonds3

About (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine

(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 103934582) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
PubChem CID103934582
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
SMILESCC(N(C)C[C@H](C)N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(11)7-12(6)9(2)10(3,4)5/h8-9H,7,11H2,1-6H3/t8-,9?/m0/s1
InChIKeyOMXBCUUVEDVJGV-IENPIDJESA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 113448166
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368657
1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 63467628
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 43571008
(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492
1-N-(3,3-dimethylbutan-2-yl)-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929647
1-N-(3,3-dimethylbutan-2-yl)-1-N,2-dimethylbutane-1,2-diamine
CID 79812068
1-N,3,3-trimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 16795578
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine (CID 103934582) is (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine is CC(N(C)C[C@H](C)N)C(C)(C)C.
What is the InChIKey of (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is OMXBCUUVEDVJGV-IENPIDJESA-N. The full InChI is InChI=1S/C10H24N2/c1-8(11)7-12(6)9(2)10(3,4)5/h8-9H,7,11H2,1-6H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine?
(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103934582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).