1,2,5-tri(propan-2-yl)azepane

C15H31N — CID 176801550

IUPAC1,2,5-tri(propan-2-yl)azepane
SMILESCC(C)C1CCC(C(C)C)N(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-11(2)14-7-8-15(12(3)4)16(10-9-14)13(5)6/h11-15H,7-10H2,1-6H3
InChIKeyWTHAZGSPCXRVRB-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.18
Rot. Bonds3

About 1,2,5-tri(propan-2-yl)azepane

1,2,5-tri(propan-2-yl)azepane (PubChem CID 176801550) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1,2,5-tri(propan-2-yl)azepane.

Molecular Properties

Compound Name1,2,5-tri(propan-2-yl)azepane
PubChem CID176801550
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1,2,5-tri(propan-2-yl)azepane
SMILESCC(C)C1CCC(C(C)C)N(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-11(2)14-7-8-15(12(3)4)16(10-9-14)13(5)6/h11-15H,7-10H2,1-6H3
InChIKeyWTHAZGSPCXRVRB-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine
CID 152916334
1,2-di(propan-2-yl)azocane
CID 134605032
1,4-di(propan-2-yl)piperidine
CID 21303253
5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane
CID 175612309
4-methyl-1,2-di(propan-2-yl)piperidine
CID 141078246
(2R,4S)-2-cyclopropyl-1,4-di(propan-2-yl)piperidine
CID 174295504
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
1,2,4-tri(propan-2-yl)piperazine
CID 58977477
(2S)-2-(2-fluoroethyl)-1,4-di(propan-2-yl)piperidine
CID 171506116
4-methoxy-1,2-di(propan-2-yl)piperidine
CID 175613620

Frequently Asked Questions

What is the IUPAC name of 1,2,5-tri(propan-2-yl)azepane?
The IUPAC name of 1,2,5-tri(propan-2-yl)azepane (CID 176801550) is 1,2,5-tri(propan-2-yl)azepane.
What is the SMILES notation for 1,2,5-tri(propan-2-yl)azepane?
The canonical SMILES for 1,2,5-tri(propan-2-yl)azepane is CC(C)C1CCC(C(C)C)N(C(C)C)CC1.
What is the InChIKey of 1,2,5-tri(propan-2-yl)azepane?
The InChIKey is WTHAZGSPCXRVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-11(2)14-7-8-15(12(3)4)16(10-9-14)13(5)6/h11-15H,7-10H2,1-6H3.
What are the key properties of 1,2,5-tri(propan-2-yl)azepane?
1,2,5-tri(propan-2-yl)azepane has a molecular weight of 225.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tri(propan-2-yl)azepane is sourced from PubChem (CID 176801550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).