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

C18H33NO — CID 82941025

IUPACN-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-3-6-20-7-4-5-19-14(2)18-11-15-8-16(12-18)10-17(9-15)13-18/h14-17,19H,3-13H2,1-2H3
InChIKeyYEKINLLPFJHOOF-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.00
Rot. Bonds8

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

N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine (PubChem CID 82941025) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine
PubChem CID82941025
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-3-6-20-7-4-5-19-14(2)18-11-15-8-16(12-18)10-17(9-15)13-18/h14-17,19H,3-13H2,1-2H3
InChIKeyYEKINLLPFJHOOF-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008374
N-[1-(1-adamantyl)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65093829
1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462111
N-(3-propoxypropyl)butan-2-amine
CID 62715458
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82942170
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine
CID 4724201
N-[1-(1-adamantyl)ethyl]hexan-2-amine
CID 43757554
1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191196
2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
1-[(1S)-1-(1-adamantyl)ethyl]-3-butylurea
CID 7068856
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine (CID 82941025) is N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine is CCCOCCCNC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine?
The InChIKey is YEKINLLPFJHOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-6-20-7-4-5-19-14(2)18-11-15-8-16(12-18)10-17(9-15)13-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine?
N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82941025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).