3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine

C18H33N — CID 105028489

IUPAC3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
SMILESCCC(CC)CC(N)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H33N/c1-4-13(5-2)7-16(19)18-10-14-6-15(11-18)9-17(3,8-14)12-18/h13-16H,4-12,19H2,1-3H3
InChIKeyZYDYESYPRKDZRF-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.75
Rot. Bonds5

About 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine

3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine (PubChem CID 105028489) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
PubChem CID105028489
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
SMILESCCC(CC)CC(N)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H33N/c1-4-13(5-2)7-16(19)18-10-14-6-15(11-18)9-17(3,8-14)12-18/h13-16H,4-12,19H2,1-3H3
InChIKeyZYDYESYPRKDZRF-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(3-methyl-1-adamantyl)hexan-1-amine
CID 115845746
1-(3-methyl-1-adamantyl)butan-1-amine
CID 115778291
N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
CID 105028422
(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine
CID 104992588
1-(3-cyclopentyl-1-adamantyl)propan-1-amine
CID 159983107
2-(5-bromo-2-pyridinyl)-1-(3-methyl-1-adamantyl)ethanamine
CID 105036523
1-(1-adamantyl)-3-ethyl-N-methylpentan-1-amine
CID 82923509
(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine
CID 105016628
1-(3-methyl-1-adamantyl)hex-4-yn-1-ol
CID 115833785
1-(3-methyl-1-adamantyl)prop-2-enylhydrazine
CID 105318044
(2R)-2-chloro-2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid
CID 129418689
(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine
CID 113402734

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine?
The IUPAC name of 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine (CID 105028489) is 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine is CCC(CC)CC(N)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine?
The InChIKey is ZYDYESYPRKDZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-4-13(5-2)7-16(19)18-10-14-6-15(11-18)9-17(3,8-14)12-18/h13-16H,4-12,19H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine?
3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine is sourced from PubChem (CID 105028489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).