N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine

C11H20N2 — CID 79319044

IUPACN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
SMILESC#CCCN(C)CC1CCCN1C
InChIInChI=1S/C11H20N2/c1-4-5-8-12(2)10-11-7-6-9-13(11)3/h1,11H,5-10H2,2-3H3
InChIKeyQDTCHRWIYCHFCL-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.04
Rot. Bonds4

About N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine (PubChem CID 79319044) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
PubChem CID79319044
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
SMILESC#CCCN(C)CC1CCCN1C
InChIInChI=1S/C11H20N2/c1-4-5-8-12(2)10-11-7-6-9-13(11)3/h1,11H,5-10H2,2-3H3
InChIKeyQDTCHRWIYCHFCL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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

N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63657455
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 79313818
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
N-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79312803
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
CID 79315492
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine (CID 79319044) is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine is C#CCCN(C)CC1CCCN1C.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine?
The InChIKey is QDTCHRWIYCHFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-8-12(2)10-11-7-6-9-13(11)3/h1,11H,5-10H2,2-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine?
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.04, 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-2-yl)methyl]but-3-yn-1-amine is sourced from PubChem (CID 79319044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).