N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine

C15H28N2 — CID 116642856

IUPACN-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNC(C)C1CCN(CCC)CC1
InChIInChI=1S/C15H28N2/c1-4-6-7-10-16-14(3)15-8-12-17(11-5-2)13-9-15/h14-16H,5,7-13H2,1-3H3
InChIKeyMVEHYTSVDLSUDJ-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.50
Rot. Bonds6

About N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine

N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine (PubChem CID 116642856) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
PubChem CID116642856
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNC(C)C1CCN(CCC)CC1
InChIInChI=1S/C15H28N2/c1-4-6-7-10-16-14(3)15-8-12-17(11-5-2)13-9-15/h14-16H,5,7-13H2,1-3H3
InChIKeyMVEHYTSVDLSUDJ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
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

N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine
CID 104807377
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106284532

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine?
The IUPAC name of N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine (CID 116642856) is N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine?
The canonical SMILES for N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine is CC#CCCNC(C)C1CCN(CCC)CC1.
What is the InChIKey of N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine?
The InChIKey is MVEHYTSVDLSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-6-7-10-16-14(3)15-8-12-17(11-5-2)13-9-15/h14-16H,5,7-13H2,1-3H3.
What are the key properties of N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine?
N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine is sourced from PubChem (CID 116642856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).