2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane

C15H32N2 — CID 138722839

IUPAC2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
SMILESCCCC1CN(C(C)C)CC(C)N(C(C)C)C1
InChIInChI=1S/C15H32N2/c1-7-8-15-10-16(12(2)3)9-14(6)17(11-15)13(4)5/h12-15H,7-11H2,1-6H3
InChIKeyPYWKUMFRDKBGEI-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane

2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane (PubChem CID 138722839) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane.

Molecular Properties

Compound Name2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
PubChem CID138722839
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
SMILESCCCC1CN(C(C)C)CC(C)N(C(C)C)C1
InChIInChI=1S/C15H32N2/c1-7-8-15-10-16(12(2)3)9-14(6)17(11-15)13(4)5/h12-15H,7-11H2,1-6H3
InChIKeyPYWKUMFRDKBGEI-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine
CID 169194158
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233
3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine
CID 176760635
2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
CID 159786270
2-(5-methyl-1-propan-2-ylpyrrolidin-3-yl)ethanamine
CID 83846190
(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine
CID 166707730
3-ethyl-5-methyl-1-propan-2-ylpiperidine
CID 20730096
2-methyl-N-(1-propan-2-yl-5-propylpiperidin-3-yl)propanamide
CID 112542636
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
(2S)-2-(3-propylazetidin-1-yl)butan-1-ol
CID 107861581
(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine)
CID 161123117
1-propan-2-yl-5-propylpyrrolidin-3-ol
CID 102568671

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane?
The IUPAC name of 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane (CID 138722839) is 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane.
What is the SMILES notation for 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane?
The canonical SMILES for 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane is CCCC1CN(C(C)C)CC(C)N(C(C)C)C1.
What is the InChIKey of 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane?
The InChIKey is PYWKUMFRDKBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-8-15-10-16(12(2)3)9-14(6)17(11-15)13(4)5/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane?
2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane is sourced from PubChem (CID 138722839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).