1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine

C14H28N2O — CID 79560276

IUPAC1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
SMILESC=COCCCNC(C)CC1CCCCCN1
InChIInChI=1S/C14H28N2O/c1-3-17-11-7-10-15-13(2)12-14-8-5-4-6-9-16-14/h3,13-16H,1,4-12H2,2H3
InChIKeyGBEROTFNSHEBFO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.44
Rot. Bonds8

About 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine

1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine (PubChem CID 79560276) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
PubChem CID79560276
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
SMILESC=COCCCNC(C)CC1CCCCCN1
InChIInChI=1S/C14H28N2O/c1-3-17-11-7-10-15-13(2)12-14-8-5-4-6-9-16-14/h3,13-16H,1,4-12H2,2H3
InChIKeyGBEROTFNSHEBFO-UHFFFAOYSA-N
XLogP2.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
CID 79560725
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
CID 115516388
N-[3-[1-(azepan-2-yl)propan-2-ylamino]propyl]methanesulfonamide
CID 106333370
1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine (CID 79560276) is 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine is C=COCCCNC(C)CC1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine?
The InChIKey is GBEROTFNSHEBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-17-11-7-10-15-13(2)12-14-8-5-4-6-9-16-14/h3,13-16H,1,4-12H2,2H3.
What are the key properties of 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine?
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine has a molecular weight of 240.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine is sourced from PubChem (CID 79560276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).