3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine

C13H30N2 — CID 102912296

IUPAC3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
SMILESCC(C)C(CN)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H30N2/c1-9(2)12(10(3)4)8-15-13(7-14)11(5)6/h9-13,15H,7-8,14H2,1-6H3
InChIKeyPXWBUQBJRDLSPC-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.49
Rot. Bonds7

About 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine

3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine (PubChem CID 102912296) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
PubChem CID102912296
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
SMILESCC(C)C(CN)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H30N2/c1-9(2)12(10(3)4)8-15-13(7-14)11(5)6/h9-13,15H,7-8,14H2,1-6H3
InChIKeyPXWBUQBJRDLSPC-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine
CID 102912703
3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 65379067
2-N-dodecyl-3-methylbutane-1,2-diamine
CID 106345395
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
CID 65385472
N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102903901
2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine
CID 106345341
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912745
2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103387734
1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912678
3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 65386054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine (CID 102912296) is 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine is CC(C)C(CN)NCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine?
The InChIKey is PXWBUQBJRDLSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-9(2)12(10(3)4)8-15-13(7-14)11(5)6/h9-13,15H,7-8,14H2,1-6H3.
What are the key properties of 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine?
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine is sourced from PubChem (CID 102912296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).