N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine

C13H28N2 — CID 62512541

IUPACN-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
SMILESCCCCN1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-6-8-15-9-7-12(11-15)10-14-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyBKGDGRWRDWQVME-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds5

About N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine

N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 62512541) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID62512541
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
SMILESCCCCN1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-6-8-15-9-7-12(11-15)10-14-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyBKGDGRWRDWQVME-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220646
2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 114127667
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
N-[[1-[2-[ethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62641948
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756
2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63243856
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-[[1-[3-(dimethylamino)propyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114525593

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine (CID 62512541) is N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine is CCCCN1CCC(CNC(C)(C)C)C1.
What is the InChIKey of N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is BKGDGRWRDWQVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-8-15-9-7-12(11-15)10-14-13(2,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine?
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62512541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).