N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine

C13H24N2 — CID 107163558

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCC1(C)CCN(C)CC1
InChIInChI=1S/C13H24N2/c1-5-12(6-2)14-11-13(3)7-9-15(4)10-8-13/h1,12,14H,6-11H2,2-4H3
InChIKeyXNPSEACBKKNEOM-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.72
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine (PubChem CID 107163558) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine
PubChem CID107163558
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCC1(C)CCN(C)CC1
InChIInChI=1S/C13H24N2/c1-5-12(6-2)14-11-13(3)7-9-15(4)10-8-13/h1,12,14H,6-11H2,2-4H3
InChIKeyXNPSEACBKKNEOM-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.72
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

3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564
N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine
CID 107908367
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
CID 107163202
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine
CID 107163253
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
CID 107163692
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-propan-2-ylthiourea
CID 103975349
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
CID 107164199
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 107164956
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine (CID 107163558) is N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine is C#CC(CC)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine?
The InChIKey is XNPSEACBKKNEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-12(6-2)14-11-13(3)7-9-15(4)10-8-13/h1,12,14H,6-11H2,2-4H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine has a molecular weight of 208.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine is sourced from PubChem (CID 107163558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).