(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine

C15H34N2 — CID 112737195

IUPAC(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
SMILESCCC[C@H](N)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-6-7-15(16)12-17(10-8-13(2)3)11-9-14(4)5/h13-15H,6-12,16H2,1-5H3/t15-/m0/s1
InChIKeyNJPAPORVSVOXII-HNNXBMFYSA-N
MW242.45 g/mol
LogP3.51
Rot. Bonds10

About (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine

(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine (PubChem CID 112737195) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
PubChem CID112737195
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
SMILESCCC[C@H](N)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-6-7-15(16)12-17(10-8-13(2)3)11-9-14(4)5/h13-15H,6-12,16H2,1-5H3/t15-/m0/s1
InChIKeyNJPAPORVSVOXII-HNNXBMFYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dipropylpentane-1,2-diamine
CID 43650406
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43650469
(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine
CID 129302821
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
CID 61428857
ethane;2-methylpentane
CID 143713716
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
ethane;hexan-3-amine
CID 143616305
3-amino-4-(dibutylamino)butan-1-ol
CID 64900069

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine?
The IUPAC name of (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine (CID 112737195) is (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine.
What is the SMILES notation for (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine?
The canonical SMILES for (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine is CCC[C@H](N)CN(CCC(C)C)CCC(C)C.
What is the InChIKey of (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine?
The InChIKey is NJPAPORVSVOXII-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-7-15(16)12-17(10-8-13(2)3)11-9-14(4)5/h13-15H,6-12,16H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine?
(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 112737195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).