(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane

C12H26N2 — CID 153291275

IUPAC(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
SMILESCC(C)N1CC[C@@H](C)N(C(C)C)CC1
InChIInChI=1S/C12H26N2/c1-10(2)13-7-6-12(5)14(9-8-13)11(3)4/h10-12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyABUQTUZFLZJIQN-GFCCVEGCSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds2

About (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane

(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane (PubChem CID 153291275) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
PubChem CID153291275
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
SMILESCC(C)N1CC[C@@H](C)N(C(C)C)CC1
InChIInChI=1S/C12H26N2/c1-10(2)13-7-6-12(5)14(9-8-13)11(3)4/h10-12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyABUQTUZFLZJIQN-GFCCVEGCSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane?
The IUPAC name of (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane (CID 153291275) is (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane.
What is the SMILES notation for (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane?
The canonical SMILES for (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane is CC(C)N1CC[C@@H](C)N(C(C)C)CC1.
What is the InChIKey of (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane?
The InChIKey is ABUQTUZFLZJIQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)13-7-6-12(5)14(9-8-13)11(3)4/h10-12H,6-9H2,1-5H3/t12-/m1/s1.
What are the key properties of (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane?
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane has a molecular weight of 198.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane is sourced from PubChem (CID 153291275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).