N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine

C11H20N2 — CID 63657455

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
SMILESC#CCCN(C)CC1CCN(C)C1
InChIInChI=1S/C11H20N2/c1-4-5-7-12(2)9-11-6-8-13(3)10-11/h1,11H,5-10H2,2-3H3
InChIKeyTUYVJNHNFCSYHR-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.89
Rot. Bonds4

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine (PubChem CID 63657455) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
PubChem CID63657455
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
SMILESC#CCCN(C)CC1CCN(C)C1
InChIInChI=1S/C11H20N2/c1-4-5-7-12(2)9-11-6-8-13(3)10-11/h1,11H,5-10H2,2-3H3
InChIKeyTUYVJNHNFCSYHR-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044
2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile
CID 63273995
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63273734
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
CID 106799840

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine (CID 63657455) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine is C#CCCN(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine?
The InChIKey is TUYVJNHNFCSYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-7-12(2)9-11-6-8-13(3)10-11/h1,11H,5-10H2,2-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine has a molecular weight of 180.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine is sourced from PubChem (CID 63657455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).