N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine

C15H26N2 — CID 103903238

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC2(C(C)C)CC2)CC1
InChIInChI=1S/C15H26N2/c1-4-9-17-10-5-14(6-11-17)16-12-15(7-8-15)13(2)3/h1,13-14,16H,5-12H2,2-3H3
InChIKeyMJEBNBQMYGJDHF-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.11
Rot. Bonds5

About N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine

N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 103903238) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID103903238
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC2(C(C)C)CC2)CC1
InChIInChI=1S/C15H26N2/c1-4-9-17-10-5-14(6-11-17)16-12-15(7-8-15)13(2)3/h1,13-14,16H,5-12H2,2-3H3
InChIKeyMJEBNBQMYGJDHF-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.11
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-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
CID 43766456
1-[4-[(1-propan-2-ylcyclopropyl)methylamino]piperidin-1-yl]ethanone
CID 103743396
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103780977
1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine
CID 114113900
N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 115719159
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
CID 43765302

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine (CID 103903238) is N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCC2(C(C)C)CC2)CC1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is MJEBNBQMYGJDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-9-17-10-5-14(6-11-17)16-12-15(7-8-15)13(2)3/h1,13-14,16H,5-12H2,2-3H3.
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 234.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 103903238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).