2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine

C10H24N2 — CID 61425411

IUPAC2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCN(C)C(C)(C)CN
InChIInChI=1S/C10H24N2/c1-9(2)6-7-12(5)10(3,4)8-11/h9H,6-8,11H2,1-5H3
InChIKeyLOTMCEJGKURWCM-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.70
Rot. Bonds5

About 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine

2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 61425411) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID61425411
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCN(C)C(C)(C)CN
InChIInChI=1S/C10H24N2/c1-9(2)6-7-12(5)10(3,4)8-11/h9H,6-8,11H2,1-5H3
InChIKeyLOTMCEJGKURWCM-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62534549
2-N,2-dimethyl-2-N-(2-methylpentyl)propane-1,2-diamine
CID 62264836
2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 80698745
N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 81080379
3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
CID 115134994
2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658217
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
CID 62007957
2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 107871155
N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
CID 142386094
2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115132013

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine (CID 61425411) is 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine is CC(C)CCN(C)C(C)(C)CN.
What is the InChIKey of 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is LOTMCEJGKURWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(2)6-7-12(5)10(3,4)8-11/h9H,6-8,11H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 61425411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).