N-but-2-ynyl-1-methylpiperidin-4-amine

C10H18N2 — CID 62310337

IUPACN-but-2-ynyl-1-methylpiperidin-4-amine
SMILESCC#CCNC1CCN(C)CC1
InChIInChI=1S/C10H18N2/c1-3-4-7-11-10-5-8-12(2)9-6-10/h10-11H,5-9H2,1-2H3
InChIKeyPCLDGZZPQKOJIW-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds2

About N-but-2-ynyl-1-methylpiperidin-4-amine

N-but-2-ynyl-1-methylpiperidin-4-amine (PubChem CID 62310337) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-but-2-ynyl-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-but-2-ynyl-1-methylpiperidin-4-amine
PubChem CID62310337
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-but-2-ynyl-1-methylpiperidin-4-amine
SMILESCC#CCNC1CCN(C)CC1
InChIInChI=1S/C10H18N2/c1-3-4-7-11-10-5-8-12(2)9-6-10/h10-11H,5-9H2,1-2H3
InChIKeyPCLDGZZPQKOJIW-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
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-1-(2-methoxyethyl)piperidin-4-amine
CID 115896869
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
CID 115901593
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one
CID 115866481
methyl 4-[(1-methylpiperidin-4-yl)amino]but-2-ynoate
CID 115026946
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
1-methyl-N-pent-3-ynylpyrrolidin-3-amine
CID 104806498
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
4-(but-2-ynylamino)cyclohexane-1-carboxylic acid
CID 62312161
1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-1-methylpiperidin-4-amine?
The IUPAC name of N-but-2-ynyl-1-methylpiperidin-4-amine (CID 62310337) is N-but-2-ynyl-1-methylpiperidin-4-amine.
What is the SMILES notation for N-but-2-ynyl-1-methylpiperidin-4-amine?
The canonical SMILES for N-but-2-ynyl-1-methylpiperidin-4-amine is CC#CCNC1CCN(C)CC1.
What is the InChIKey of N-but-2-ynyl-1-methylpiperidin-4-amine?
The InChIKey is PCLDGZZPQKOJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-7-11-10-5-8-12(2)9-6-10/h10-11H,5-9H2,1-2H3.
What are the key properties of N-but-2-ynyl-1-methylpiperidin-4-amine?
N-but-2-ynyl-1-methylpiperidin-4-amine has a molecular weight of 166.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1-methylpiperidin-4-amine is sourced from PubChem (CID 62310337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).