N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine

C12H22N2 — CID 79538896

IUPACN-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine
SMILESC#CCCNC(C)CC1CCCCN1
InChIInChI=1S/C12H22N2/c1-3-4-8-13-11(2)10-12-7-5-6-9-14-12/h1,11-14H,4-10H2,2H3
InChIKeyMWWAKNUSMSEFBI-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.52
Rot. Bonds5

About N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine

N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine (PubChem CID 79538896) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine
PubChem CID79538896
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine
SMILESC#CCCNC(C)CC1CCCCN1
InChIInChI=1S/C12H22N2/c1-3-4-8-13-11(2)10-12-7-5-6-9-14-12/h1,11-14H,4-10H2,2H3
InChIKeyMWWAKNUSMSEFBI-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine
CID 106426416
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
CID 115516388
2-[1-(azepan-2-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106336117

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine?
The IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine (CID 79538896) is N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine.
What is the SMILES notation for N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine?
The canonical SMILES for N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine is C#CCCNC(C)CC1CCCCN1.
What is the InChIKey of N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine?
The InChIKey is MWWAKNUSMSEFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-4-8-13-11(2)10-12-7-5-6-9-14-12/h1,11-14H,4-10H2,2H3.
What are the key properties of N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine?
N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine is sourced from PubChem (CID 79538896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).