1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane

C14H30N2 — CID 106329785

IUPAC1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane
SMILESCCC(C)(CC)N1CCCNC(C(C)C)C1
InChIInChI=1S/C14H30N2/c1-6-14(5,7-2)16-10-8-9-15-13(11-16)12(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyINIHZLXLVWQBBT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

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

1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane (PubChem CID 106329785) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane
PubChem CID106329785
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane
SMILESCCC(C)(CC)N1CCCNC(C(C)C)C1
InChIInChI=1S/C14H30N2/c1-6-14(5,7-2)16-10-8-9-15-13(11-16)12(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyINIHZLXLVWQBBT-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
CID 106329845
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane
CID 114944367
1-(4-tert-butylcyclohexyl)-3-propan-2-yl-1,4-diazepane
CID 82249117
(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
CID 131122145
1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
CID 64925311
1-(4-methoxybutyl)-3-propan-2-yl-1,4-diazepane
CID 64949735
1-(2-methoxy-2-methylpropyl)-3-propan-2-ylpiperazine
CID 104766328
1-(3-methylpentan-3-yl)-3-propylpiperazine
CID 106329754
tert-butyl (3R)-3-propan-2-yl-1,4-diazocane-1-carboxylate
CID 131227852
1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114127972

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane (CID 106329785) is 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane is CCC(C)(CC)N1CCCNC(C(C)C)C1.
What is the InChIKey of 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane?
The InChIKey is INIHZLXLVWQBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(5,7-2)16-10-8-9-15-13(11-16)12(3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane?
1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane has a molecular weight of 226.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 106329785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).