N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine

C13H30N2 — CID 28613575

IUPACN,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine
SMILESCCC[C@H](C)CNCC(C)(C)CN(C)C
InChIInChI=1S/C13H30N2/c1-7-8-12(2)9-14-10-13(3,4)11-15(5)6/h12,14H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyRXFWMSAQFCYRFP-LBPRGKRZSA-N
MW214.40 g/mol
LogP2.60
Rot. Bonds8

About N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine (PubChem CID 28613575) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine
PubChem CID28613575
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine
SMILESCCC[C@H](C)CNCC(C)(C)CN(C)C
InChIInChI=1S/C13H30N2/c1-7-8-12(2)9-14-10-13(3,4)11-15(5)6/h12,14H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyRXFWMSAQFCYRFP-LBPRGKRZSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
CID 61142642
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid
CID 64583232
N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol
CID 115907883
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60632580
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
CID 103813226
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine
CID 79652192
iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine
CID 172681101
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine (CID 28613575) is N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine is CCC[C@H](C)CNCC(C)(C)CN(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine?
The InChIKey is RXFWMSAQFCYRFP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-8-12(2)9-14-10-13(3,4)11-15(5)6/h12,14H,7-11H2,1-6H3/t12-/m0/s1.
What are the key properties of N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine is sourced from PubChem (CID 28613575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).