2-N-benzyl-2-N-ethylpentane-1,2-diamine

C14H24N2 — CID 43126066

IUPAC2-N-benzyl-2-N-ethylpentane-1,2-diamine
SMILESCCCC(CN)N(CC)Cc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-8-14(11-15)16(4-2)12-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12,15H2,1-2H3
InChIKeyKQIJKQNRTVMAOT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.64
Rot. Bonds7

About 2-N-benzyl-2-N-ethylpentane-1,2-diamine

2-N-benzyl-2-N-ethylpentane-1,2-diamine (PubChem CID 43126066) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N-benzyl-2-N-ethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-ethylpentane-1,2-diamine
PubChem CID43126066
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N-benzyl-2-N-ethylpentane-1,2-diamine
SMILESCCCC(CN)N(CC)Cc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-8-14(11-15)16(4-2)12-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12,15H2,1-2H3
InChIKeyKQIJKQNRTVMAOT-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 131068415
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853
2-N-ethyl-3-phenyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61436906
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569
N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
CID 43126038
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974638
3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 43175067

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-ethylpentane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-ethylpentane-1,2-diamine (CID 43126066) is 2-N-benzyl-2-N-ethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-ethylpentane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-ethylpentane-1,2-diamine is CCCC(CN)N(CC)Cc1ccccc1.
What is the InChIKey of 2-N-benzyl-2-N-ethylpentane-1,2-diamine?
The InChIKey is KQIJKQNRTVMAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-8-14(11-15)16(4-2)12-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12,15H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N-ethylpentane-1,2-diamine?
2-N-benzyl-2-N-ethylpentane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-ethylpentane-1,2-diamine is sourced from PubChem (CID 43126066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).