N-(2-adamantyl)-1-propylpiperidin-4-amine

C18H32N2 — CID 782242

IUPACN-(2-adamantyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C18H32N2/c1-2-5-20-6-3-17(4-7-20)19-18-15-9-13-8-14(11-15)12-16(18)10-13/h13-19H,2-12H2,1H3
InChIKeyOSTFEBZJTSDZPP-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.28
Rot. Bonds4

About N-(2-adamantyl)-1-propylpiperidin-4-amine

N-(2-adamantyl)-1-propylpiperidin-4-amine (PubChem CID 782242) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-(2-adamantyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-1-propylpiperidin-4-amine
PubChem CID782242
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-(2-adamantyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C18H32N2/c1-2-5-20-6-3-17(4-7-20)19-18-15-9-13-8-14(11-15)12-16(18)10-13/h13-19H,2-12H2,1H3
InChIKeyOSTFEBZJTSDZPP-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-(2-adamantylamino)-N,N-diethyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118758213
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358
N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine
CID 79956542
N-(3-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
N-(2-methyloxolan-3-yl)-1-propylpiperidin-4-amine
CID 115335615
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
[3-[(1-propylpiperidin-4-yl)amino]cyclohexyl]methanol
CID 112753304
N-methyl-1-propylazepan-4-amine
CID 65072873
2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide
CID 112823323
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
CID 114629183

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-adamantyl)-1-propylpiperidin-4-amine (CID 782242) is N-(2-adamantyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-adamantyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-adamantyl)-1-propylpiperidin-4-amine is CCCN1CCC(NC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(2-adamantyl)-1-propylpiperidin-4-amine?
The InChIKey is OSTFEBZJTSDZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-5-20-6-3-17(4-7-20)19-18-15-9-13-8-14(11-15)12-16(18)10-13/h13-19H,2-12H2,1H3.
What are the key properties of N-(2-adamantyl)-1-propylpiperidin-4-amine?
N-(2-adamantyl)-1-propylpiperidin-4-amine has a molecular weight of 276.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 782242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).