N-butan-2-yl-N-methoxypyrrolidin-3-amine

C9H20N2O — CID 165348244

IUPACN-butan-2-yl-N-methoxypyrrolidin-3-amine
SMILESCCC(C)N(OC)C1CCNC1
InChIInChI=1S/C9H20N2O/c1-4-8(2)11(12-3)9-5-6-10-7-9/h8-10H,4-7H2,1-3H3
InChIKeyHSCKYTAYLQYRNH-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds4

About N-butan-2-yl-N-methoxypyrrolidin-3-amine

N-butan-2-yl-N-methoxypyrrolidin-3-amine (PubChem CID 165348244) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-butan-2-yl-N-methoxypyrrolidin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methoxypyrrolidin-3-amine
PubChem CID165348244
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-butan-2-yl-N-methoxypyrrolidin-3-amine
SMILESCCC(C)N(OC)C1CCNC1
InChIInChI=1S/C9H20N2O/c1-4-8(2)11(12-3)9-5-6-10-7-9/h8-10H,4-7H2,1-3H3
InChIKeyHSCKYTAYLQYRNH-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine
CID 116502156
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
CID 63299827
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
N-ethyl-N-methoxypiperidin-4-amine
CID 126511750
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methoxypyrrolidin-3-amine?
The IUPAC name of N-butan-2-yl-N-methoxypyrrolidin-3-amine (CID 165348244) is N-butan-2-yl-N-methoxypyrrolidin-3-amine.
What is the SMILES notation for N-butan-2-yl-N-methoxypyrrolidin-3-amine?
The canonical SMILES for N-butan-2-yl-N-methoxypyrrolidin-3-amine is CCC(C)N(OC)C1CCNC1.
What is the InChIKey of N-butan-2-yl-N-methoxypyrrolidin-3-amine?
The InChIKey is HSCKYTAYLQYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-8(2)11(12-3)9-5-6-10-7-9/h8-10H,4-7H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methoxypyrrolidin-3-amine?
N-butan-2-yl-N-methoxypyrrolidin-3-amine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methoxypyrrolidin-3-amine is sourced from PubChem (CID 165348244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).