1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine

C19H35NO — CID 114856536

IUPAC1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H35NO/c1-5-20-16(7-6-8-21-4)19-11-15-9-17(2,13-19)12-18(3,10-15)14-19/h15-16,20H,5-14H2,1-4H3
InChIKeyJVFPPMSZQMPUBJ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.39
Rot. Bonds7

About 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine

1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine (PubChem CID 114856536) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine
PubChem CID114856536
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H35NO/c1-5-20-16(7-6-8-21-4)19-11-15-9-17(2,13-19)12-18(3,10-15)14-19/h15-16,20H,5-14H2,1-4H3
InChIKeyJVFPPMSZQMPUBJ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.39
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

1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine
CID 79986402
1-(3,5-dimethyl-1-adamantyl)-N-ethyl-3-methylpentan-2-amine
CID 105017513
N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
CID 105028422
1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine
CID 79986867
1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
CID 114855905
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
4-methoxy-N-methyl-1-(1-methylcyclopropyl)butan-1-amine
CID 114856609
1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine
CID 104986903
N-ethyl-4-methoxy-1-(3-methyl-1,4-dithian-2-yl)butan-1-amine
CID 114856760
1-(1-adamantyl)-N-ethylhex-4-yn-1-amine
CID 104805387
N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
CID 114857105
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine (CID 114856536) is 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine is CCNC(CCCOC)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine?
The InChIKey is JVFPPMSZQMPUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-5-20-16(7-6-8-21-4)19-11-15-9-17(2,13-19)12-18(3,10-15)14-19/h15-16,20H,5-14H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine?
1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-N-ethyl-4-methoxybutan-1-amine is sourced from PubChem (CID 114856536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).