(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine

C13H24N4O — CID 97205446

IUPAC(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine
SMILESCCCc1nnc(N2CCC[C@H](N(C)C)CC2)o1
InChIInChI=1S/C13H24N4O/c1-4-6-12-14-15-13(18-12)17-9-5-7-11(8-10-17)16(2)3/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyFCUOJITZKYEBKB-NSHDSACASA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds4

About (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine

(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine (PubChem CID 97205446) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine.

Molecular Properties

Compound Name(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine
PubChem CID97205446
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine
SMILESCCCc1nnc(N2CCC[C@H](N(C)C)CC2)o1
InChIInChI=1S/C13H24N4O/c1-4-6-12-14-15-13(18-12)17-9-5-7-11(8-10-17)16(2)3/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyFCUOJITZKYEBKB-NSHDSACASA-N
XLogP1.94
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol
CID 97195500
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962400
2-[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 97209007
2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 72839343
3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 72860267
morpholin-4-yl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone
CID 72911811
phenyl-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanone
CID 72896681
(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
CID 97208136
1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962399
2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 97192725
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106962402
2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole
CID 72932562

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine?
The IUPAC name of (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine (CID 97205446) is (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine.
What is the SMILES notation for (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine?
The canonical SMILES for (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine is CCCc1nnc(N2CCC[C@H](N(C)C)CC2)o1.
What is the InChIKey of (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine?
The InChIKey is FCUOJITZKYEBKB-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-6-12-14-15-13(18-12)17-9-5-7-11(8-10-17)16(2)3/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine?
(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine is sourced from PubChem (CID 97205446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).