1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine

C11H24N2O — CID 62988157

IUPAC1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(C)CN1CCCOCC1
InChIInChI=1S/C11H24N2O/c1-3-5-12-11(2)10-13-6-4-8-14-9-7-13/h11-12H,3-10H2,1-2H3
InChIKeyCDAAQMYCCUOBGX-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds5

About 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine

1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine (PubChem CID 62988157) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine
PubChem CID62988157
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(C)CN1CCCOCC1
InChIInChI=1S/C11H24N2O/c1-3-5-12-11(2)10-13-6-4-8-14-9-7-13/h11-12H,3-10H2,1-2H3
InChIKeyCDAAQMYCCUOBGX-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675929
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
N-(2-fluoroethyl)-1-morpholin-4-ylpropan-2-amine
CID 80694695
3-(1-morpholin-4-ylpropan-2-ylamino)-N-propan-2-ylpropanamide
CID 55098146
N-(3-fluoropropyl)-1-morpholin-4-ylpropan-2-amine
CID 81105734
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675679
4-(1,4-oxazepan-4-yl)-2-(propylamino)butanoic acid
CID 55142794
N-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]acetamide
CID 107529281
4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 103087400
N-butan-2-yl-2-methyl-3-morpholin-4-ylpropan-1-amine
CID 115722394
(2R)-1-(1-morpholin-4-ylpropan-2-ylamino)propan-2-ol
CID 106931969
2-methylidene-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 66047361

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine (CID 62988157) is 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine is CCCNC(C)CN1CCCOCC1.
What is the InChIKey of 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine?
The InChIKey is CDAAQMYCCUOBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-5-12-11(2)10-13-6-4-8-14-9-7-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine?
1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 62988157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).