1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine

C11H25N3 — CID 130736732

IUPAC1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
SMILESCC1CCN(C)CCN1CC(C)(C)N
InChIInChI=1S/C11H25N3/c1-10-5-6-13(4)7-8-14(10)9-11(2,3)12/h10H,5-9,12H2,1-4H3
InChIKeyMCXZVPJFALYNBC-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds2

About 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine

1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine (PubChem CID 130736732) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
PubChem CID130736732
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
SMILESCC1CCN(C)CCN1CC(C)(C)N
InChIInChI=1S/C11H25N3/c1-10-5-6-13(4)7-8-14(10)9-11(2,3)12/h10H,5-9,12H2,1-4H3
InChIKeyMCXZVPJFALYNBC-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 58865013
CID 58865013
2-methyl-1-(5-methyl-1-oxo-1,4-thiazepan-4-yl)propan-2-amine
CID 131134214
1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine
CID 67575978
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
2-methyl-1-[2-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 120858149
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
1-(2,5-dimethylpyrrolidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 131086173
2-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 64795621
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
1,5-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120899791
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine (CID 130736732) is 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine is CC1CCN(C)CCN1CC(C)(C)N.
What is the InChIKey of 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine?
The InChIKey is MCXZVPJFALYNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10-5-6-13(4)7-8-14(10)9-11(2,3)12/h10H,5-9,12H2,1-4H3.
What are the key properties of 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine?
1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 130736732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).