3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine

C12H28N2 — CID 62420547

IUPAC3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)CN(C)C(C)CCNC(C)C
InChIInChI=1S/C12H28N2/c1-10(2)9-14(6)12(5)7-8-13-11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyYSFGQOFUKTVSDK-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds7

About 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine

3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 62420547) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID62420547
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)CN(C)C(C)CCNC(C)C
InChIInChI=1S/C12H28N2/c1-10(2)9-14(6)12(5)7-8-13-11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyYSFGQOFUKTVSDK-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
CID 112665568
methanamine;3-methyl-N-propan-2-ylbutan-1-amine
CID 169260441
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
CID 55073668
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine
CID 79408914
2-N-methyl-2-N-(3-methylbutyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 62462550
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79312939
1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62570630
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N,2-dimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine;methane
CID 167553463
2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal
CID 166698561

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine (CID 62420547) is 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine is CC(C)CN(C)C(C)CCNC(C)C.
What is the InChIKey of 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is YSFGQOFUKTVSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-10(2)9-14(6)12(5)7-8-13-11(3)4/h10-13H,7-9H2,1-6H3.
What are the key properties of 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine?
3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 62420547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).