N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C12H20N2 — CID 106599994

IUPACN-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESC#CC(C)N(CC1CCCN1)C1CC1
InChIInChI=1S/C12H20N2/c1-3-10(2)14(12-6-7-12)9-11-5-4-8-13-11/h1,10-13H,4-9H2,2H3
InChIKeyFJOOOJXDXWOMIR-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.22
Rot. Bonds4

About N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106599994) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106599994
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESC#CC(C)N(CC1CCCN1)C1CC1
InChIInChI=1S/C12H20N2/c1-3-10(2)14(12-6-7-12)9-11-5-4-8-13-11/h1,10-13H,4-9H2,2H3
InChIKeyFJOOOJXDXWOMIR-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(pyrrolidin-2-ylmethyl)but-3-yn-2-amine
CID 106615574
N-(4-methylpentan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599096
N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621821
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648
N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599064
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449580
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106599994) is N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is C#CC(C)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is FJOOOJXDXWOMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10(2)14(12-6-7-12)9-11-5-4-8-13-11/h1,10-13H,4-9H2,2H3.
What are the key properties of N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 192.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106599994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).