N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine

C20H37N — CID 105028422

IUPACN,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C20H37N/c1-5-15(6-2)9-18(21-7-3)20-12-16-8-17(13-20)11-19(4,10-16)14-20/h15-18,21H,5-14H2,1-4H3
InChIKeyGXICVNVQOZBZDV-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.40
Rot. Bonds7

About N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine

N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine (PubChem CID 105028422) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
PubChem CID105028422
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC NameN,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C20H37N/c1-5-15(6-2)9-18(21-7-3)20-12-16-8-17(13-20)11-19(4,10-16)14-20/h15-18,21H,5-14H2,1-4H3
InChIKeyGXICVNVQOZBZDV-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine (CID 105028422) is N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine is CCNC(CC(CC)CC)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine?
The InChIKey is GXICVNVQOZBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-5-15(6-2)9-18(21-7-3)20-12-16-8-17(13-20)11-19(4,10-16)14-20/h15-18,21H,5-14H2,1-4H3.
What are the key properties of N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine?
N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine has a molecular weight of 291.52 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine is sourced from PubChem (CID 105028422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).