N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine

C12H26N2O — CID 79541660

IUPACN-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
SMILESCCOCCCNC(C)CC1CCCN1
InChIInChI=1S/C12H26N2O/c1-3-15-9-5-8-13-11(2)10-12-6-4-7-14-12/h11-14H,3-10H2,1-2H3
InChIKeyBWAGNSQCVHGFLL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.53
Rot. Bonds8

About N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine

N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79541660) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79541660
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
SMILESCCOCCCNC(C)CC1CCCN1
InChIInChI=1S/C12H26N2O/c1-3-15-9-5-8-13-11(2)10-12-6-4-7-14-12/h11-14H,3-10H2,1-2H3
InChIKeyBWAGNSQCVHGFLL-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
CID 79560725
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
N-(2-cyclopentyloxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79539845
N-(2-cyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541627
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541234

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine (CID 79541660) is N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine is CCOCCCNC(C)CC1CCCN1.
What is the InChIKey of N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is BWAGNSQCVHGFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-15-9-5-8-13-11(2)10-12-6-4-7-14-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine?
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79541660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).