N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine

C10H22N2 — CID 11970965

IUPACN,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine
SMILESCN(C)CCCCN1CCCC1
InChIInChI=1S/C10H22N2/c1-11(2)7-3-4-8-12-9-5-6-10-12/h3-10H2,1-2H3
InChIKeyHDYZARWVRHUPFD-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.42
Rot. Bonds5

About N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine

N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine (PubChem CID 11970965) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine
PubChem CID11970965
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine
SMILESCN(C)CCCCN1CCCC1
InChIInChI=1S/C10H22N2/c1-11(2)7-3-4-8-12-9-5-6-10-12/h3-10H2,1-2H3
InChIKeyHDYZARWVRHUPFD-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine (CID 11970965) is N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine is CN(C)CCCCN1CCCC1.
What is the InChIKey of N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is HDYZARWVRHUPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-11(2)7-3-4-8-12-9-5-6-10-12/h3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine?
N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 11970965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).