3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C14H30N2O — CID 135182025

IUPAC3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCCC(C)OCCCN(C)CCN1CCCC1
InChIInChI=1S/C14H30N2O/c1-4-14(2)17-13-7-8-15(3)11-12-16-9-5-6-10-16/h14H,4-13H2,1-3H3
InChIKeyLPGDRVOWMTZPJH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.22
Rot. Bonds9

About 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 135182025) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID135182025
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCCC(C)OCCCN(C)CCN1CCCC1
InChIInChI=1S/C14H30N2O/c1-4-14(2)17-13-7-8-15(3)11-12-16-9-5-6-10-16/h14H,4-13H2,1-3H3
InChIKeyLPGDRVOWMTZPJH-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 118891655
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine
CID 55161282
1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 63207611
N-methyl-N-[2-(2-piperidin-1-ylethoxy)ethyl]butan-1-amine
CID 172611817
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine
CID 79327540

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 135182025) is 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is CCC(C)OCCCN(C)CCN1CCCC1.
What is the InChIKey of 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is LPGDRVOWMTZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-14(2)17-13-7-8-15(3)11-12-16-9-5-6-10-16/h14H,4-13H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 135182025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).