N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine

C13H22N2 — CID 106631638

IUPACN-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCC#CCN(CC1CCCCN1)C1CC1
InChIInChI=1S/C13H22N2/c1-2-3-10-15(13-7-8-13)11-12-6-4-5-9-14-12/h12-14H,4-11H2,1H3
InChIKeyHAHPQKVKWRVZOQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.62
Rot. Bonds4

About N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine

N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106631638) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106631638
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCC#CCN(CC1CCCCN1)C1CC1
InChIInChI=1S/C13H22N2/c1-2-3-10-15(13-7-8-13)11-12-6-4-5-9-14-12/h12-14H,4-11H2,1H3
InChIKeyHAHPQKVKWRVZOQ-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.62
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-but-2-ynyl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599846
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
CID 106632063
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631714
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 106631546
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106631638) is N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine is CC#CCN(CC1CCCCN1)C1CC1.
What is the InChIKey of N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is HAHPQKVKWRVZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-10-15(13-7-8-13)11-12-6-4-5-9-14-12/h12-14H,4-11H2,1H3.
What are the key properties of N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 206.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106631638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).