N-[1-(1-adamantyl)ethyl]hexan-3-amine

C18H33N — CID 55193331

IUPACN-[1-(1-adamantyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33N/c1-4-6-17(5-2)19-13(3)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,4-12H2,1-3H3
InChIKeyJHFIXGFKRKGHHI-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds6

About N-[1-(1-adamantyl)ethyl]hexan-3-amine

N-[1-(1-adamantyl)ethyl]hexan-3-amine (PubChem CID 55193331) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]hexan-3-amine
PubChem CID55193331
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[1-(1-adamantyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33N/c1-4-6-17(5-2)19-13(3)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,4-12H2,1-3H3
InChIKeyJHFIXGFKRKGHHI-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(1-adamantyl)ethylamino]pentanenitrile
CID 43368094
N-[1-(1-adamantyl)ethyl]hexan-2-amine
CID 43757554
3-[1-(1-adamantyl)ethylamino]butan-1-ol
CID 83176774
N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
CID 62119280
4-N-[1-(1-adamantyl)ethyl]-5-methoxypentane-1,4-diamine
CID 103387014
1-(1-adamantyl)-N,2-dimethylpentan-1-amine
CID 107893392
1-(3-bromohexan-2-yl)adamantane
CID 83051676
N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide
CID 47105687
N-pentan-3-ylhexan-3-amine
CID 62118915
1-(1-adamantyl)ethylhydrazine
CID 23008707
1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981201
2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]hexan-3-amine (CID 55193331) is N-[1-(1-adamantyl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]hexan-3-amine is CCCC(CC)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]hexan-3-amine?
The InChIKey is JHFIXGFKRKGHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-4-6-17(5-2)19-13(3)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,4-12H2,1-3H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]hexan-3-amine?
N-[1-(1-adamantyl)ethyl]hexan-3-amine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]hexan-3-amine is sourced from PubChem (CID 55193331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).