3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine

C10H24N2 — CID 112555935

IUPAC3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCC(C)CNCC(N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(2)6-12-7-9(11)10(3,4)5/h8-9,12H,6-7,11H2,1-5H3
InChIKeyPKKPZZRSNNRCTK-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.61
Rot. Bonds4

About 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine

3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 112555935) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID112555935
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCC(C)CNCC(N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(2)6-12-7-9(11)10(3,4)5/h8-9,12H,6-7,11H2,1-5H3
InChIKeyPKKPZZRSNNRCTK-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
CID 107815634
CID 175939227
CID 175939227
3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 112555941
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
3,3-dimethyl-1-N-(3,3,3-trifluoropropyl)butane-1,2-diamine
CID 112555996
2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138954
(3R)-2,2,5-trimethylhexan-3-amine
CID 93312693
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
CID 64665441
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
CID 112556001
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
2-tert-butyl-N-(2-methylpropyl)hexan-1-amine
CID 83138560

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine (CID 112555935) is 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine is CC(C)CNCC(N)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is PKKPZZRSNNRCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-8(2)6-12-7-9(11)10(3,4)5/h8-9,12H,6-7,11H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 112555935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).