4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine

C12H26N2O — CID 79541172

IUPAC4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
SMILESCOCCCCNC(C)CC1CCCN1
InChIInChI=1S/C12H26N2O/c1-11(10-12-6-5-8-14-12)13-7-3-4-9-15-2/h11-14H,3-10H2,1-2H3
InChIKeyDQFNJXXRCDNKBS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.53
Rot. Bonds8

About 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine

4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine (PubChem CID 79541172) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
PubChem CID79541172
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
SMILESCOCCCCNC(C)CC1CCCN1
InChIInChI=1S/C12H26N2O/c1-11(10-12-6-5-8-14-12)13-7-3-4-9-15-2/h11-14H,3-10H2,1-2H3
InChIKeyDQFNJXXRCDNKBS-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

N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
3-methoxy-2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79540301
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-(2-cyclopentyloxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79539845
N-(2-cyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541627
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541234

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine (CID 79541172) is 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine is COCCCCNC(C)CC1CCCN1.
What is the InChIKey of 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine?
The InChIKey is DQFNJXXRCDNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(10-12-6-5-8-14-12)13-7-3-4-9-15-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine?
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-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 4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 79541172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).