ethane;(2R)-1,2,4-trimethyl-1,4-diazepane

C12H30N2 — CID 142347964

IUPACethane;(2R)-1,2,4-trimethyl-1,4-diazepane
SMILESCC.CC.C[C@@H]1CN(C)CCCN1C
InChIInChI=1S/C8H18N2.2C2H6/c1-8-7-9(2)5-4-6-10(8)3;2*1-2/h8H,4-7H2,1-3H3;2*1-2H3/t8-;;/m1../s1
InChIKeyLYFZCDMAGGVVFM-YCBDHFTFSA-N
MW202.39 g/mol
LogP2.69
Rot. Bonds

About ethane;(2R)-1,2,4-trimethyl-1,4-diazepane

ethane;(2R)-1,2,4-trimethyl-1,4-diazepane (PubChem CID 142347964) has the molecular formula C12H30N2 and a molecular weight of 202.39 g/mol. Its IUPAC name is ethane;(2R)-1,2,4-trimethyl-1,4-diazepane.

Molecular Properties

Compound Nameethane;(2R)-1,2,4-trimethyl-1,4-diazepane
PubChem CID142347964
Molecular FormulaC12H30N2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Nameethane;(2R)-1,2,4-trimethyl-1,4-diazepane
SMILESCC.CC.C[C@@H]1CN(C)CCCN1C
InChIInChI=1S/C8H18N2.2C2H6/c1-8-7-9(2)5-4-6-10(8)3;2*1-2/h8H,4-7H2,1-3H3;2*1-2H3/t8-;;/m1../s1
InChIKeyLYFZCDMAGGVVFM-YCBDHFTFSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethylhomopiperazine
CID 251476
1-(Propan-2-yl)-1,4-diazepane
CID 12236513
1,4-Dimethyl-1,4-diazepan-6-amine
CID 14999039
[2-(Diethylamino)-isopropyl]diethylamine
CID 5003928
N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine
CID 11858876
1-Ethyl-4-methyl-1,4-diazepane
CID 22165959
6,6-Difluoro-1-methyl-4-propan-2-yl-1,4-diazepane
CID 58115761
1-Tert-butyl-4-(2-fluoroethyl)-1,4-diazepane
CID 58311670
1-Ethyl-4-(2-fluoroethyl)-1,4-diazepane
CID 89256601
6,6-Difluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 117849006
1-(2-Fluoroethyl)-4-methyl-1,4-diazepane
CID 123186695
1-Propan-2-yl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 130437353

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-1,2,4-trimethyl-1,4-diazepane?
The IUPAC name of ethane;(2R)-1,2,4-trimethyl-1,4-diazepane (CID 142347964) is ethane;(2R)-1,2,4-trimethyl-1,4-diazepane.
What is the SMILES notation for ethane;(2R)-1,2,4-trimethyl-1,4-diazepane?
The canonical SMILES for ethane;(2R)-1,2,4-trimethyl-1,4-diazepane is CC.CC.C[C@@H]1CN(C)CCCN1C.
What is the InChIKey of ethane;(2R)-1,2,4-trimethyl-1,4-diazepane?
The InChIKey is LYFZCDMAGGVVFM-YCBDHFTFSA-N. The full InChI is InChI=1S/C8H18N2.2C2H6/c1-8-7-9(2)5-4-6-10(8)3;2*1-2/h8H,4-7H2,1-3H3;2*1-2H3/t8-;;/m1../s1.
What are the key properties of ethane;(2R)-1,2,4-trimethyl-1,4-diazepane?
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane has a molecular weight of 202.39 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-1,2,4-trimethyl-1,4-diazepane is sourced from PubChem (CID 142347964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).