(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane

C10H22N2 — CID 168910236

IUPAC(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane
SMILESCC1NCCCN(C(C)C)[C@H]1C
InChIInChI=1S/C10H22N2/c1-8(2)12-7-5-6-11-9(3)10(12)4/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyJDAPZQAOFBIJHN-AXDSSHIGSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds1

About (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane

(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane (PubChem CID 168910236) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane
PubChem CID168910236
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane
SMILESCC1NCCCN(C(C)C)[C@H]1C
InChIInChI=1S/C10H22N2/c1-8(2)12-7-5-6-11-9(3)10(12)4/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyJDAPZQAOFBIJHN-AXDSSHIGSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane?
The IUPAC name of (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane (CID 168910236) is (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane.
What is the SMILES notation for (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane?
The canonical SMILES for (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane is CC1NCCCN(C(C)C)[C@H]1C.
What is the InChIKey of (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane?
The InChIKey is JDAPZQAOFBIJHN-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)12-7-5-6-11-9(3)10(12)4/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane?
(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane has a molecular weight of 170.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 168910236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).