1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine

C13H30N2 — CID 115876449

IUPAC1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine
SMILESCC(C)CNC(CCN(C)C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)10-14-12(13(3,4)5)8-9-15(6)7/h11-12,14H,8-10H2,1-7H3
InChIKeyLUKFXFGFOJBIJO-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.60
Rot. Bonds6

About 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine

1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine (PubChem CID 115876449) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine
PubChem CID115876449
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine
SMILESCC(C)CNC(CCN(C)C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)10-14-12(13(3,4)5)8-9-15(6)7/h11-12,14H,8-10H2,1-7H3
InChIKeyLUKFXFGFOJBIJO-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 63494212
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119888442
3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349684
1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63699837
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
CID 62624784
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349624
(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
CID 88581583
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709
2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine
CID 65384160
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
CID 104554609
(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide
CID 119888444

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine?
The IUPAC name of 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine (CID 115876449) is 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine?
The canonical SMILES for 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine is CC(C)CNC(CCN(C)C)C(C)(C)C.
What is the InChIKey of 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine?
The InChIKey is LUKFXFGFOJBIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-11(2)10-14-12(13(3,4)5)8-9-15(6)7/h11-12,14H,8-10H2,1-7H3.
What are the key properties of 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine?
1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine is sourced from PubChem (CID 115876449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).