N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine

C13H30N2 — CID 102913460

IUPACN,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine
SMILESCNCC(C)CNCC(C(C)C)C(C)C
InChIInChI=1S/C13H30N2/c1-10(2)13(11(3)4)9-15-8-12(5)7-14-6/h10-15H,7-9H2,1-6H3
InChIKeyXHNTTXYGXVCCHI-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.36
Rot. Bonds8

About N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine

N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine (PubChem CID 102913460) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine
PubChem CID102913460
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine
SMILESCNCC(C)CNCC(C(C)C)C(C)C
InChIInChI=1S/C13H30N2/c1-10(2)13(11(3)4)9-15-8-12(5)7-14-6/h10-15H,7-9H2,1-6H3
InChIKeyXHNTTXYGXVCCHI-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904680
N-(2,2-dimethylpropyl)-N',2-dimethylpropane-1,3-diamine
CID 79201734
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905569
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
N,2-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 115303228
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
ethane;N,2,4-trimethylpentan-1-amine
CID 142844862
N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine
CID 107754136
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine (CID 102913460) is N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine is CNCC(C)CNCC(C(C)C)C(C)C.
What is the InChIKey of N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine?
The InChIKey is XHNTTXYGXVCCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-10(2)13(11(3)4)9-15-8-12(5)7-14-6/h10-15H,7-9H2,1-6H3.
What are the key properties of N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine?
N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine is sourced from PubChem (CID 102913460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).