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

C12H26N2 — CID 153291233

IUPAC(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
SMILESCC(C)N1CCCN(C(C)C)[C@@H](C)C1
InChIInChI=1S/C12H26N2/c1-10(2)13-7-6-8-14(11(3)4)12(5)9-13/h10-12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyOPYILQWLAHIPKY-LBPRGKRZSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds2

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

(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane (PubChem CID 153291233) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
PubChem CID153291233
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
SMILESCC(C)N1CCCN(C(C)C)[C@@H](C)C1
InChIInChI=1S/C12H26N2/c1-10(2)13-7-6-8-14(11(3)4)12(5)9-13/h10-12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyOPYILQWLAHIPKY-LBPRGKRZSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-4-propan-2-yl-1,4-diazepane;(2S)-2-methyl-1-propan-2-yl-1,4-diazepane
CID 168909759
(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291285
2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
CID 159786270
(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
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
2-methyl-1-propan-2-ylazepane
CID 66910895
(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
(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine
CID 161123115
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
CID 138722839

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane?
The IUPAC name of (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane (CID 153291233) is (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane.
What is the SMILES notation for (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane?
The canonical SMILES for (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane is CC(C)N1CCCN(C(C)C)[C@@H](C)C1.
What is the InChIKey of (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane?
The InChIKey is OPYILQWLAHIPKY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)13-7-6-8-14(11(3)4)12(5)9-13/h10-12H,6-9H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane?
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane has a molecular weight of 198.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane is sourced from PubChem (CID 153291233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).