N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine

C10H23N3 — CID 11858876

IUPACN,N,1,4,6-pentamethyl-1,4-diazepan-6-amine
SMILESCN1CCN(C)CC(C)(N(C)C)C1
InChIInChI=1S/C10H23N3/c1-10(11(2)3)8-12(4)6-7-13(5)9-10/h6-9H2,1-5H3
InChIKeyVMJYYNKDQKWAJF-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.18
Rot. Bonds1

About N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine

N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine (PubChem CID 11858876) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine.

Molecular Properties

Compound NameN,N,1,4,6-pentamethyl-1,4-diazepan-6-amine
PubChem CID11858876
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN,N,1,4,6-pentamethyl-1,4-diazepan-6-amine
SMILESCN1CCN(C)CC(C)(N(C)C)C1
InChIInChI=1S/C10H23N3/c1-10(11(2)3)8-12(4)6-7-13(5)9-10/h6-9H2,1-5H3
InChIKeyVMJYYNKDQKWAJF-UHFFFAOYSA-N
XLogP0.18
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylhomopiperazine
CID 251476
1-(1,1-Dimethylethyl)hexahydro-1H-1,4-diazepine
CID 23592887
1,3,3-Trimethyl-1,4-diazepane
CID 64870871
1-Ethyl-4-methyl-1,4-diazepane
CID 22165959
1-Tert-butyl-4-(2-fluoroethyl)-1,4-diazepane
CID 58311670
1-Tert-butyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 68250446
1-Tert-butyl-4-(2,2-difluoroethyl)-1,4-diazepane
CID 140929454
6-Fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
1-Fluoro-4-propan-2-yl-1,4-diazepane
CID 155701545
1-(2-Fluoroethyl)-4,6,6-trimethyl-1,4-diazepane
CID 163368052
1-Tert-butyl-4-ethyl-6,6-difluoro-1,4-diazepane
CID 164709883
1-Tert-butyl-4-(fluoromethyl)-6,6-dimethyl-1,4-diazepane
CID 167025576

Frequently Asked Questions

What is the IUPAC name of N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine?
The IUPAC name of N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine (CID 11858876) is N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine.
What is the SMILES notation for N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine?
The canonical SMILES for N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine is CN1CCN(C)CC(C)(N(C)C)C1.
What is the InChIKey of N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine?
The InChIKey is VMJYYNKDQKWAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-10(11(2)3)8-12(4)6-7-13(5)9-10/h6-9H2,1-5H3.
What are the key properties of N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine?
N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine has a molecular weight of 185.31 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine is sourced from PubChem (CID 11858876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).